(4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one

C12H14O2 — CID 102352796

IUPAC(4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one
SMILESCc1ccc2c(c1)C(=O)CC[C@]2(C)O
InChIInChI=1S/C12H14O2/c1-8-3-4-10-9(7-8)11(13)5-6-12(10,2)14/h3-4,7,14H,5-6H2,1-2H3/t12-/m0/s1
InChIKeyUUVVPOMHZJKZSI-LBPRGKRZSA-N
MW190.24 g/mol
LogP2.18
Rot. Bonds

About (4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one

(4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one (PubChem CID 102352796) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one
PubChem CID102352796
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one
SMILESCc1ccc2c(c1)C(=O)CC[C@]2(C)O
InChIInChI=1S/C12H14O2/c1-8-3-4-10-9(7-8)11(13)5-6-12(10,2)14/h3-4,7,14H,5-6H2,1-2H3/t12-/m0/s1
InChIKeyUUVVPOMHZJKZSI-LBPRGKRZSA-N
XLogP2.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,6-trimethyl-2H-inden-1-one
CID 594538
ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one
CID 142087326
2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid
CID 82158605
1,1,6-trimethyl-2,3-dihydroisoquinolin-4-one
CID 123720628
6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one
CID 135045307
5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one
CID 163063625
4,4-dimethyl-7-sulfanyl-2,3-dihydronaphthalen-1-one
CID 19034432
7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione
CID 104696989
5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 10537791
(1S)-1,6-dimethyl-4-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ol
CID 91747482
6-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 21162203
7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one
CID 118281442

Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one?
The IUPAC name of (4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one (CID 102352796) is (4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for (4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one?
The canonical SMILES for (4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one is Cc1ccc2c(c1)C(=O)CC[C@]2(C)O.
What is the InChIKey of (4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one?
The InChIKey is UUVVPOMHZJKZSI-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-3-4-10-9(7-8)11(13)5-6-12(10,2)14/h3-4,7,14H,5-6H2,1-2H3/t12-/m0/s1.
What are the key properties of (4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one?
(4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 102352796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).