2-methyl-9,10-dihydrophenanthrene-1,4-diol

C15H14O2 — CID 154253176

IUPAC2-methyl-9,10-dihydrophenanthrene-1,4-diol
SMILESCc1cc(O)c2c(c1O)CCc1ccccc1-2
InChIInChI=1S/C15H14O2/c1-9-8-13(16)14-11-5-3-2-4-10(11)6-7-12(14)15(9)17/h2-5,8,16-17H,6-7H2,1H3
InChIKeyYYHIFZLNUYLCGE-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.17
Rot. Bonds

About 2-methyl-9,10-dihydrophenanthrene-1,4-diol

2-methyl-9,10-dihydrophenanthrene-1,4-diol (PubChem CID 154253176) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-methyl-9,10-dihydrophenanthrene-1,4-diol.

Molecular Properties

Compound Name2-methyl-9,10-dihydrophenanthrene-1,4-diol
PubChem CID154253176
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name2-methyl-9,10-dihydrophenanthrene-1,4-diol
SMILESCc1cc(O)c2c(c1O)CCc1ccccc1-2
InChIInChI=1S/C15H14O2/c1-9-8-13(16)14-11-5-3-2-4-10(11)6-7-12(14)15(9)17/h2-5,8,16-17H,6-7H2,1H3
InChIKeyYYHIFZLNUYLCGE-UHFFFAOYSA-N
XLogP3.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4-tetramethyl-9,10-dihydrophenanthrene
CID 175462605
4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54538385
9,10-dihydrophenanthrene;methane
CID 174728506
2,6-dimethylbenzene-1,4-diol;9H-fluorene
CID 162146644
9,10-dihydrophenanthrene;ethane
CID 143759681
3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 22102252
12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene
CID 14448103
3-methyl-6H-benzo[c]chromen-1-ol
CID 102026235
1-(2,4-dimethyl-9,10-dihydrophenanthren-1-yl)-2,2,3-trimethylimidazole
CID 155367065
3,4,6-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-ol
CID 141037888
7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid
CID 141414000
4-[2-[2-(4-hydroxy-2,3,5-trimethylphenyl)phenyl]phenyl]-2,3,6-trimethylphenol
CID 129213063

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9,10-dihydrophenanthrene-1,4-diol?
The IUPAC name of 2-methyl-9,10-dihydrophenanthrene-1,4-diol (CID 154253176) is 2-methyl-9,10-dihydrophenanthrene-1,4-diol.
What is the SMILES notation for 2-methyl-9,10-dihydrophenanthrene-1,4-diol?
The canonical SMILES for 2-methyl-9,10-dihydrophenanthrene-1,4-diol is Cc1cc(O)c2c(c1O)CCc1ccccc1-2.
What is the InChIKey of 2-methyl-9,10-dihydrophenanthrene-1,4-diol?
The InChIKey is YYHIFZLNUYLCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-9-8-13(16)14-11-5-3-2-4-10(11)6-7-12(14)15(9)17/h2-5,8,16-17H,6-7H2,1H3.
What are the key properties of 2-methyl-9,10-dihydrophenanthrene-1,4-diol?
2-methyl-9,10-dihydrophenanthrene-1,4-diol has a molecular weight of 226.28 g/mol, XLogP of 3.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9,10-dihydrophenanthrene-1,4-diol is sourced from PubChem (CID 154253176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).