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

C11H12O3 — CID 656878

IUPAC(1R,2S)-7-(hydroxymethyl)-1,2-dihydronaphthalene-1,2-diol
SMILESOCc1ccc2c(c1)[C@@H](O)[C@@H](O)C=C2
InChIInChI=1S/C11H12O3/c12-6-7-1-2-8-3-4-10(13)11(14)9(8)5-7/h1-5,10-14H,6H2/t10-,11+/m0/s1
InChIKeyDJXXYNWCWKWVDK-WDEREUQCSA-N
MW192.21 g/mol
LogP0.60
Rot. Bonds1

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

(1R,2S)-7-(hydroxymethyl)-1,2-dihydronaphthalene-1,2-diol (PubChem CID 656878) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (1R,2S)-7-(hydroxymethyl)-1,2-dihydronaphthalene-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-7-(hydroxymethyl)-1,2-dihydronaphthalene-1,2-diol
PubChem CID656878
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(1R,2S)-7-(hydroxymethyl)-1,2-dihydronaphthalene-1,2-diol
SMILESOCc1ccc2c(c1)[C@@H](O)[C@@H](O)C=C2
InChIInChI=1S/C11H12O3/c12-6-7-1-2-8-3-4-10(13)11(14)9(8)5-7/h1-5,10-14H,6H2/t10-,11+/m0/s1
InChIKeyDJXXYNWCWKWVDK-WDEREUQCSA-N
XLogP0.60
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenyl-1,2-ethanediol
CID 7149
[1,1'-Biphenyl]-3-methanol, 2-methyl-
CID 596875
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
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
Bay 27-9955
CID 5311277
(R,R)-Hydrobenzoin
CID 853019
2,4-Dimethylbenzyl alcohol
CID 27809

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-7-(hydroxymethyl)-1,2-dihydronaphthalene-1,2-diol?
The IUPAC name of (1R,2S)-7-(hydroxymethyl)-1,2-dihydronaphthalene-1,2-diol (CID 656878) is (1R,2S)-7-(hydroxymethyl)-1,2-dihydronaphthalene-1,2-diol.
What is the SMILES notation for (1R,2S)-7-(hydroxymethyl)-1,2-dihydronaphthalene-1,2-diol?
The canonical SMILES for (1R,2S)-7-(hydroxymethyl)-1,2-dihydronaphthalene-1,2-diol is OCc1ccc2c(c1)[C@@H](O)[C@@H](O)C=C2.
What is the InChIKey of (1R,2S)-7-(hydroxymethyl)-1,2-dihydronaphthalene-1,2-diol?
The InChIKey is DJXXYNWCWKWVDK-WDEREUQCSA-N. The full InChI is InChI=1S/C11H12O3/c12-6-7-1-2-8-3-4-10(13)11(14)9(8)5-7/h1-5,10-14H,6H2/t10-,11+/m0/s1.
What are the key properties of (1R,2S)-7-(hydroxymethyl)-1,2-dihydronaphthalene-1,2-diol?
(1R,2S)-7-(hydroxymethyl)-1,2-dihydronaphthalene-1,2-diol has a molecular weight of 192.21 g/mol, XLogP of 0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-7-(hydroxymethyl)-1,2-dihydronaphthalene-1,2-diol is sourced from PubChem (CID 656878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).