(4R)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one

C12H14O2 — CID 5325816

IUPAC(4R)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1cc2c(cc1O)[C@H](C)CCC2=O
InChIInChI=1S/C12H14O2/c1-7-3-4-11(13)10-5-8(2)12(14)6-9(7)10/h5-7,14H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyBYOIVWRPJQKGMQ-SSDOTTSWSA-N
MW190.24 g/mol
LogP2.78
Rot. Bonds

About (4R)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one

(4R)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 5325816) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (4R)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(4R)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID5325816
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(4R)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1cc2c(cc1O)[C@H](C)CCC2=O
InChIInChI=1S/C12H14O2/c1-7-3-4-11(13)10-5-8(2)12(14)6-9(7)10/h5-7,14H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyBYOIVWRPJQKGMQ-SSDOTTSWSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Chrysophanol
CID 10208
Emodin
CID 3220
Plumbagin
CID 10205
Anthralin
CID 2202
3-Hydroxy-2-naphthoic acid
CID 7104
1-Hydroxyanthraquinone
CID 8512
2,6-Dihydroxyanthraquinone
CID 6776
Chrysophanic acid-9-anthrone
CID 68111
Anthrarufin
CID 8328
Nimbidiol
CID 11334829
2-Hydroxy-1-naphthaldehyde
CID 12819
2-Hydroxyanthraquinone
CID 11796

Frequently Asked Questions

What is the IUPAC name of (4R)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (4R)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one (CID 5325816) is (4R)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (4R)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (4R)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one is Cc1cc2c(cc1O)[C@H](C)CCC2=O.
What is the InChIKey of (4R)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is BYOIVWRPJQKGMQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H14O2/c1-7-3-4-11(13)10-5-8(2)12(14)6-9(7)10/h5-7,14H,3-4H2,1-2H3/t7-/m1/s1.
What are the key properties of (4R)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one?
(4R)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 5325816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).