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

C12H14O2 — CID 102352797

IUPAC(4R)-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-/m1/s1
InChIKeyUUVVPOMHZJKZSI-GFCCVEGCSA-N
MW190.24 g/mol
LogP2.18
Rot. Bonds

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

(4R)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one (PubChem CID 102352797) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (4R)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one
PubChem CID102352797
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(4R)-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-/m1/s1
InChIKeyUUVVPOMHZJKZSI-GFCCVEGCSA-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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Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one?
The IUPAC name of (4R)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one (CID 102352797) is (4R)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for (4R)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one?
The canonical SMILES for (4R)-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 (4R)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one?
The InChIKey is UUVVPOMHZJKZSI-GFCCVEGCSA-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-/m1/s1.
What are the key properties of (4R)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one?
(4R)-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 (4R)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 102352797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).