(1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol

C11H12O2 — CID 656877

IUPAC(1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol
SMILESCc1ccc2c(c1)[C@@H](O)[C@@H](O)C=C2
InChIInChI=1S/C11H12O2/c1-7-2-3-8-4-5-10(12)11(13)9(8)6-7/h2-6,10-13H,1H3/t10-,11+/m0/s1
InChIKeyISBMHLUJIIODOL-WDEREUQCSA-N
MW176.21 g/mol
LogP1.42
Rot. Bonds

About (1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol

(1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol (PubChem CID 656877) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol
PubChem CID656877
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name(1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol
SMILESCc1ccc2c(c1)[C@@H](O)[C@@H](O)C=C2
InChIInChI=1S/C11H12O2/c1-7-2-3-8-4-5-10(12)11(13)9(8)6-7/h2-6,10-13H,1H3/t10-,11+/m0/s1
InChIKeyISBMHLUJIIODOL-WDEREUQCSA-N
XLogP1.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cuminol
CID 325
1-Phenyl-1,2-ethanediol
CID 7149
[1,1'-Biphenyl]-3-methanol, 2-methyl-
CID 596875
1-Naphthalenemethanol
CID 20908
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
2-Methylbenzyl alcohol
CID 6994
2-Naphthalenemethanol
CID 74128
Benzo(a)pyrene-7,8-dihydrodiol
CID 25892
1,2,3,4-Tetrahydro-1-naphthalenol
CID 10723
3,4-Dimethylbenzyl alcohol
CID 23407
Hydrobenzoin
CID 95447
9,10-Dihydro-9,10-phenanthrenediol
CID 99889

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol?
The IUPAC name of (1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol (CID 656877) is (1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol.
What is the SMILES notation for (1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol?
The canonical SMILES for (1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol is Cc1ccc2c(c1)[C@@H](O)[C@@H](O)C=C2.
What is the InChIKey of (1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol?
The InChIKey is ISBMHLUJIIODOL-WDEREUQCSA-N. The full InChI is InChI=1S/C11H12O2/c1-7-2-3-8-4-5-10(12)11(13)9(8)6-7/h2-6,10-13H,1H3/t10-,11+/m0/s1.
What are the key properties of (1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol?
(1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol has a molecular weight of 176.21 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol is sourced from PubChem (CID 656877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).