9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol

C26H40O2 — CID 154377540

IUPAC9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
SMILESCCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(CC)CC1
InChIInChI=1S/C26H40O2/c1-7-9-10-11-17(3)18(4)20-15-23(27)25-21-14-19(8-2)12-13-22(21)26(5,6)28-24(25)16-20/h15-19,27H,7-14H2,1-6H3
InChIKeyWNYMCRVLLQMWMI-UHFFFAOYSA-N
MW384.60 g/mol
LogP7.85
Rot. Bonds7

About 9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol

9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol (PubChem CID 154377540) has the molecular formula C26H40O2 and a molecular weight of 384.60 g/mol. Its IUPAC name is 9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol.

Molecular Properties

Compound Name9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
PubChem CID154377540
Molecular FormulaC26H40O2
Molecular Weight384.60 g/mol
Exact Mass384.30
IUPAC Name9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
SMILESCCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(CC)CC1
InChIInChI=1S/C26H40O2/c1-7-9-10-11-17(3)18(4)20-15-23(27)25-21-14-19(8-2)12-13-22(21)26(5,6)28-24(25)16-20/h15-19,27H,7-14H2,1-6H3
InChIKeyWNYMCRVLLQMWMI-UHFFFAOYSA-N
XLogP7.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol with MolForge

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Related Compounds

4-hydroxy-1-[10-hydroxy-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]butan-1-one
CID 12800743
2-[10-hydroxy-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-phenylacetamide
CID 21321142
[(9R)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl] 4-(azepan-1-yl)butanoate
CID 76957071
4-[2-[6,6,9-trimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl]azepan-1-yl]butanoic acid
CID 21124209
1-(4-cyclopropylpiperazin-1-yl)-2-[[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl]oxy]ethanone
CID 6618237
(9R)-1-hydroxy-6,6-dimethyl-3-pentyl-7,8,9,10-tetrahydrobenzo[c]chromene-9-carboxylic acid
CID 170915590
7-heptan-2-yl-4,4-dimethyl-1,2-dihydrothieno[2,3-c]chromen-9-ol
CID 21433925
3-[5-(2-fluorophenyl)pentan-2-yl]-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
CID 21409754
8-heptan-2-yl-N',10-dihydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridine-2-carboximidamide
CID 54128241
5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
CID 22973435
(9R)-3-ethyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
CID 155396490
5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol
CID 70563792

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol?
The IUPAC name of 9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol (CID 154377540) is 9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol.
What is the SMILES notation for 9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol?
The canonical SMILES for 9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol is CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(CC)CC1.
What is the InChIKey of 9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol?
The InChIKey is WNYMCRVLLQMWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2/c1-7-9-10-11-17(3)18(4)20-15-23(27)25-21-14-19(8-2)12-13-22(21)26(5,6)28-24(25)16-20/h15-19,27H,7-14H2,1-6H3.
What are the key properties of 9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol?
9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol has a molecular weight of 384.60 g/mol, XLogP of 7.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol is sourced from PubChem (CID 154377540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).