2-(2,7-dimethoxynaphthalen-1-yl)-3-methylcyclohex-2-en-1-one

C19H20O3 — CID 134958827

IUPAC2-(2,7-dimethoxynaphthalen-1-yl)-3-methylcyclohex-2-en-1-one
SMILESCOc1ccc2ccc(OC)c(C3=C(C)CCCC3=O)c2c1
InChIInChI=1S/C19H20O3/c1-12-5-4-6-16(20)18(12)19-15-11-14(21-2)9-7-13(15)8-10-17(19)22-3/h7-11H,4-6H2,1-3H3
InChIKeyBICUIYVUYCPWSO-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.38
Rot. Bonds3

About 2-(2,7-dimethoxynaphthalen-1-yl)-3-methylcyclohex-2-en-1-one

2-(2,7-dimethoxynaphthalen-1-yl)-3-methylcyclohex-2-en-1-one (PubChem CID 134958827) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(2,7-dimethoxynaphthalen-1-yl)-3-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(2,7-dimethoxynaphthalen-1-yl)-3-methylcyclohex-2-en-1-one
PubChem CID134958827
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name2-(2,7-dimethoxynaphthalen-1-yl)-3-methylcyclohex-2-en-1-one
SMILESCOc1ccc2ccc(OC)c(C3=C(C)CCCC3=O)c2c1
InChIInChI=1S/C19H20O3/c1-12-5-4-6-16(20)18(12)19-15-11-14(21-2)9-7-13(15)8-10-17(19)22-3/h7-11H,4-6H2,1-3H3
InChIKeyBICUIYVUYCPWSO-UHFFFAOYSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-1-(7-methoxy-2-methylnaphthalen-1-yl)-2-methylnaphthalene
CID 20715432
[6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone
CID 11204032
9-amino-7-methoxy-3,4-dihydro-2H-acridin-1-one
CID 15043979
3-(2,7-dimethoxynaphthalen-1-yl)-1,2-oxazol-5-amine
CID 117428855
2-[(2,4-dimethoxyanilino)methylidene]cyclopentan-1-one
CID 4523453
12-(2,5-dimethoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
CID 6488260
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
2,6-dimethoxy-1-(4-methoxyphenyl)naphthalene
CID 139203574
4-(2,5-dimethoxyphenyl)sulfanylcyclohexan-1-one
CID 117034504
1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine
CID 117360042
2,6-dimethoxy-1-methylnaphthalene
CID 68950467
6-methoxy-1,2,3,4-tetrahydrophenanthrene
CID 14828207

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethoxynaphthalen-1-yl)-3-methylcyclohex-2-en-1-one?
The IUPAC name of 2-(2,7-dimethoxynaphthalen-1-yl)-3-methylcyclohex-2-en-1-one (CID 134958827) is 2-(2,7-dimethoxynaphthalen-1-yl)-3-methylcyclohex-2-en-1-one.
What is the SMILES notation for 2-(2,7-dimethoxynaphthalen-1-yl)-3-methylcyclohex-2-en-1-one?
The canonical SMILES for 2-(2,7-dimethoxynaphthalen-1-yl)-3-methylcyclohex-2-en-1-one is COc1ccc2ccc(OC)c(C3=C(C)CCCC3=O)c2c1.
What is the InChIKey of 2-(2,7-dimethoxynaphthalen-1-yl)-3-methylcyclohex-2-en-1-one?
The InChIKey is BICUIYVUYCPWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-12-5-4-6-16(20)18(12)19-15-11-14(21-2)9-7-13(15)8-10-17(19)22-3/h7-11H,4-6H2,1-3H3.
What are the key properties of 2-(2,7-dimethoxynaphthalen-1-yl)-3-methylcyclohex-2-en-1-one?
2-(2,7-dimethoxynaphthalen-1-yl)-3-methylcyclohex-2-en-1-one has a molecular weight of 296.37 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethoxynaphthalen-1-yl)-3-methylcyclohex-2-en-1-one is sourced from PubChem (CID 134958827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).