(9R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol

C23H34O4 — CID 154790906

IUPAC(9R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol
SMILESCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(OCC)[C@](C)(O)CC1
InChIInChI=1S/C23H34O4/c1-6-8-9-10-15-13-17(24)20-18(14-15)27-22(3,4)16-11-12-23(5,25)21(19(16)20)26-7-2/h13-14,21,24-25H,6-12H2,1-5H3/t21?,23-/m1/s1
InChIKeyHRAUOPAWWNBNRN-JFGZAKSSSA-N
MW374.52 g/mol
LogP5.00
Rot. Bonds6

About (9R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol

(9R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol (PubChem CID 154790906) has the molecular formula C23H34O4 and a molecular weight of 374.52 g/mol. Its IUPAC name is (9R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol.

Molecular Properties

Compound Name(9R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol
PubChem CID154790906
Molecular FormulaC23H34O4
Molecular Weight374.52 g/mol
Exact Mass374.25
IUPAC Name(9R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol
SMILESCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(OCC)[C@](C)(O)CC1
InChIInChI=1S/C23H34O4/c1-6-8-9-10-15-13-17(24)20-18(14-15)27-22(3,4)16-11-12-23(5,25)21(19(16)20)26-7-2/h13-14,21,24-25H,6-12H2,1-5H3/t21?,23-/m1/s1
InChIKeyHRAUOPAWWNBNRN-JFGZAKSSSA-N
XLogP5.00
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (9R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol with MolForge

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Related Compounds

(9R,10R)-3-butyl-10-ethoxy-6,6,9-trimethyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol
CID 168765922
6,6,9-trimethyl-3-pentyl-7,8,9,10-tetrahydrobenzo[c]chromene-1,10-diol
CID 145320341
(8S,9R)-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,8,9-triol
CID 172516483
(9R)-1-hydroxy-6,6-dimethyl-3-pentyl-7,8,9,10-tetrahydrobenzo[c]chromene-9-carboxylic acid
CID 170915590
(5aS,6S,9R,9aR)-6-methyl-3-pentyl-9-prop-1-en-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-1,6-diol;1-hydroxy-6,6,9-trimethyl-3-pentyl-8,9-dihydro-7H-benzo[c]chromen-10-one
CID 161372351
(5aS,6S,9R,9aR)-6-methyl-3-pentyl-9-prop-1-en-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-1,6-diol;3-butyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
CID 164988401
5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol
CID 70563792
(5aS,6S,9R,9aR)-6,9-dimethyl-3-pentyl-9-prop-1-en-2-yl-5a,7,8,9a-tetrahydrodibenzofuran-1,6-diol;(5aS,6S,9R,9aR)-6,9-dimethyl-9-prop-1-en-2-yl-3-propyl-5a,7,8,9a-tetrahydrodibenzofuran-1,6-diol;9-(2-hydroxypropan-2-yl)-6-methyl-3-propyl-5a,6,7,8,9,9a-hexahydrodibenzofuran-1-ol;1-methoxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene;(9R,10R)-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9,10-triol;(9S,10S)-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9,10-triol
CID 162180332
6,9-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-1,6-diol
CID 169258963
9-methyl-5-pentyl-12-propan-2-ylidene-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol
CID 14060715
(6aR,10aR)-6,6,9,10a-tetramethyl-3-pentyl-7,8-dihydro-6aH-benzo[c]chromen-1-ol
CID 155591300
(5aS,6S,9R,9aR)-1,6-dihydroxy-6-methyl-9-prop-1-en-2-yl-3-propyl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-carboxylic acid;(6aR,9S)-6,6,9-trimethyl-3-pentyl-6a,7,8,9-tetrahydrobenzo[c]chromen-1-ol;(6aR,9R)-6,6,9-trimethyl-3-pentyl-6a,7,8,9-tetrahydrobenzo[c]chromen-1-ol;methane;6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9,10-triol;1,5,5-trimethyl-9-pentyl-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7(12),8,10-triene
CID 167642345

Frequently Asked Questions

What is the IUPAC name of (9R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol?
The IUPAC name of (9R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol (CID 154790906) is (9R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol.
What is the SMILES notation for (9R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol?
The canonical SMILES for (9R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol is CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(OCC)[C@](C)(O)CC1.
What is the InChIKey of (9R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol?
The InChIKey is HRAUOPAWWNBNRN-JFGZAKSSSA-N. The full InChI is InChI=1S/C23H34O4/c1-6-8-9-10-15-13-17(24)20-18(14-15)27-22(3,4)16-11-12-23(5,25)21(19(16)20)26-7-2/h13-14,21,24-25H,6-12H2,1-5H3/t21?,23-/m1/s1.
What are the key properties of (9R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol?
(9R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol has a molecular weight of 374.52 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol is sourced from PubChem (CID 154790906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).