(1S,2R)-3-(2-methoxyphenyl)cyclohexa-3,5-diene-1,2-diol

C13H14O3 — CID 11053126

IUPAC(1S,2R)-3-(2-methoxyphenyl)cyclohexa-3,5-diene-1,2-diol
SMILESCOc1ccccc1C1=CC=C[C@H](O)[C@@H]1O
InChIInChI=1S/C13H14O3/c1-16-12-8-3-2-5-9(12)10-6-4-7-11(14)13(10)15/h2-8,11,13-15H,1H3/t11-,13+/m0/s1
InChIKeyWUCMTJSSBPUJHJ-WCQYABFASA-N
MW218.25 g/mol
LogP1.37
Rot. Bonds2

About (1S,2R)-3-(2-methoxyphenyl)cyclohexa-3,5-diene-1,2-diol

(1S,2R)-3-(2-methoxyphenyl)cyclohexa-3,5-diene-1,2-diol (PubChem CID 11053126) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (1S,2R)-3-(2-methoxyphenyl)cyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-3-(2-methoxyphenyl)cyclohexa-3,5-diene-1,2-diol
PubChem CID11053126
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(1S,2R)-3-(2-methoxyphenyl)cyclohexa-3,5-diene-1,2-diol
SMILESCOc1ccccc1C1=CC=C[C@H](O)[C@@H]1O
InChIInChI=1S/C13H14O3/c1-16-12-8-3-2-5-9(12)10-6-4-7-11(14)13(10)15/h2-8,11,13-15H,1H3/t11-,13+/m0/s1
InChIKeyWUCMTJSSBPUJHJ-WCQYABFASA-N
XLogP1.37
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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9-(5,6-dimethoxycyclohexa-1,3-dien-1-yl)-10-(2,3-dimethoxyphenyl)anthracene
CID 123621822
3-(2-methoxyphenyl)pyridine
CID 4133297
3-(2-methoxyphenyl)benzoic acid
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azane;1,2-dimethoxybenzene
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1,2-dimethoxybenzene;dihydrochloride
CID 19834650
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
CID 10968300
CID 10968300
1-[3-(5,6-dimethoxycyclohexa-1,3-dien-1-yl)phenyl]-3-methoxy-2-methylbenzene
CID 123746780
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3-(2-methoxyphenyl)cyclohexa-3,5-diene-1,2-diol?
The IUPAC name of (1S,2R)-3-(2-methoxyphenyl)cyclohexa-3,5-diene-1,2-diol (CID 11053126) is (1S,2R)-3-(2-methoxyphenyl)cyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for (1S,2R)-3-(2-methoxyphenyl)cyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for (1S,2R)-3-(2-methoxyphenyl)cyclohexa-3,5-diene-1,2-diol is COc1ccccc1C1=CC=C[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2R)-3-(2-methoxyphenyl)cyclohexa-3,5-diene-1,2-diol?
The InChIKey is WUCMTJSSBPUJHJ-WCQYABFASA-N. The full InChI is InChI=1S/C13H14O3/c1-16-12-8-3-2-5-9(12)10-6-4-7-11(14)13(10)15/h2-8,11,13-15H,1H3/t11-,13+/m0/s1.
What are the key properties of (1S,2R)-3-(2-methoxyphenyl)cyclohexa-3,5-diene-1,2-diol?
(1S,2R)-3-(2-methoxyphenyl)cyclohexa-3,5-diene-1,2-diol has a molecular weight of 218.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-3-(2-methoxyphenyl)cyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 11053126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).