2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one

C12H14O2 — CID 100977502

IUPAC2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESC[C@H](O)C1CCc2ccccc2C1=O
InChIInChI=1S/C12H14O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-5,8,10,13H,6-7H2,1H3/t8-,10?/m0/s1
InChIKeyKJXDRSIUGJFVGA-PEHGTWAWSA-N
MW190.24 g/mol
LogP1.81
Rot. Bonds1

About 2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one

2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 100977502) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID100977502
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESC[C@H](O)C1CCc2ccccc2C1=O
InChIInChI=1S/C12H14O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-5,8,10,13H,6-7H2,1H3/t8-,10?/m0/s1
InChIKeyKJXDRSIUGJFVGA-PEHGTWAWSA-N
XLogP1.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 14921451
2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 84620035
(2S)-2-[(S)-cyclopropyl-(4-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 11761708
2-(2-methylpropylsulfanyl)-3,4-dihydro-2H-naphthalen-1-one
CID 118198306
tert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate
CID 104856537
(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 98051177
7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 19789819
2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one
CID 13419689
2-propyl-3,4-dihydro-2H-naphthalen-1-one
CID 10877906
2-(2,2-diethoxyacetyl)-3,4-dihydro-2H-naphthalen-1-one
CID 62111490
2-[1-(4-methoxyphenyl)-4,4-dimethyl-3-oxopentyl]-3,4-dihydro-2H-naphthalen-1-one
CID 3454833
(3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one
CID 169445455

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one (CID 100977502) is 2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one is C[C@H](O)C1CCc2ccccc2C1=O.
What is the InChIKey of 2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is KJXDRSIUGJFVGA-PEHGTWAWSA-N. The full InChI is InChI=1S/C12H14O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-5,8,10,13H,6-7H2,1H3/t8-,10?/m0/s1.
What are the key properties of 2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one?
2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 190.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 100977502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).