8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-diol

C19H24O2 — CID 10613076

IUPAC8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-diol
SMILESCC(C)c1cc2ccc3c(c2c(O)c1O)CCCC3(C)C
InChIInChI=1S/C19H24O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11,20-21H,5-6,9H2,1-4H3
InChIKeyFURAIIMXIUGOTP-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.99
Rot. Bonds1

About 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-diol

8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-diol (PubChem CID 10613076) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-diol.

Molecular Properties

Compound Name8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-diol
PubChem CID10613076
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-diol
SMILESCC(C)c1cc2ccc3c(c2c(O)c1O)CCCC3(C)C
InChIInChI=1S/C19H24O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11,20-21H,5-6,9H2,1-4H3
InChIKeyFURAIIMXIUGOTP-UHFFFAOYSA-N
XLogP4.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

8,8-dimethyl-2-propan-2-yl-7H-phenanthrene-3,4-diol
CID 10612906
5,6,9-trihydroxy-1,1-dimethyl-7-propan-2-yl-2,3-dihydrophenanthren-4-one
CID 102239782
3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene
CID 139772831
5-propan-2-yltricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaen-4-ol
CID 14828167
1,1-dimethyl-3,4-dihydro-2H-chrysene
CID 174256276
4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)propyl]phenol
CID 57138271
(14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol
CID 11461177
1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-1-yl)ethanone
CID 10444533
4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene
CID 177395531
5,6-dihydroxy-1,1,10a-trimethyl-7-propan-2-yl-9,10-dihydro-2H-phenanthren-3-one
CID 10903130
5-(4-amino-6-methyl-5-propan-2-ylpyrimidin-2-yl)-1,1-dimethyl-2,3-dihydroinden-4-ol
CID 155354420
1-iodo-5,5-dimethyl-3-(methylaminomethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-2-ol
CID 70561868

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-diol?
The IUPAC name of 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-diol (CID 10613076) is 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-diol.
What is the SMILES notation for 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-diol?
The canonical SMILES for 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-diol is CC(C)c1cc2ccc3c(c2c(O)c1O)CCCC3(C)C.
What is the InChIKey of 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-diol?
The InChIKey is FURAIIMXIUGOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11,20-21H,5-6,9H2,1-4H3.
What are the key properties of 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-diol?
8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-diol has a molecular weight of 284.40 g/mol, XLogP of 4.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-diol is sourced from PubChem (CID 10613076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).