1-[(1S)-1-hydroxyethyl]naphthalen-2-ol

C12H12O2 — CID 95420538

IUPAC1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
SMILESC[C@H](O)c1c(O)ccc2ccccc12
InChIInChI=1S/C12H12O2/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-8,13-14H,1H3/t8-/m0/s1
InChIKeyVSRKMRHVEZMOOP-QMMMGPOBSA-N
MW188.23 g/mol
LogP2.60
Rot. Bonds1

About 1-[(1S)-1-hydroxyethyl]naphthalen-2-ol

1-[(1S)-1-hydroxyethyl]naphthalen-2-ol (PubChem CID 95420538) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-[(1S)-1-hydroxyethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
PubChem CID95420538
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
SMILESC[C@H](O)c1c(O)ccc2ccccc12
InChIInChI=1S/C12H12O2/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-8,13-14H,1H3/t8-/m0/s1
InChIKeyVSRKMRHVEZMOOP-QMMMGPOBSA-N
XLogP2.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride
CID 171264640
1-[(1R)-1-amino-2-methylpropyl]naphthalen-2-ol
CID 39345560
1-but-3-en-2-ylnaphthalen-2-ol
CID 15324471
1-[(1S)-1-aminopropyl]naphthalen-2-ol
CID 93030603
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
CID 77129792
1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride
CID 171232039
1-[1-(4-methoxyphenyl)ethyl]naphthalen-2-ol
CID 101441341
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561
[1-[(1R)-1-hydroxyethyl]naphthalen-2-yl]-phenyliodanium
CID 139095393
4-bromo-1-(2-hydroxynaphthalen-1-yl)butane-1,2-diol
CID 171892749

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-hydroxyethyl]naphthalen-2-ol?
The IUPAC name of 1-[(1S)-1-hydroxyethyl]naphthalen-2-ol (CID 95420538) is 1-[(1S)-1-hydroxyethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(1S)-1-hydroxyethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(1S)-1-hydroxyethyl]naphthalen-2-ol is C[C@H](O)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(1S)-1-hydroxyethyl]naphthalen-2-ol?
The InChIKey is VSRKMRHVEZMOOP-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12O2/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-8,13-14H,1H3/t8-/m0/s1.
What are the key properties of 1-[(1S)-1-hydroxyethyl]naphthalen-2-ol?
1-[(1S)-1-hydroxyethyl]naphthalen-2-ol has a molecular weight of 188.23 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-hydroxyethyl]naphthalen-2-ol is sourced from PubChem (CID 95420538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).