1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene

C13H15BrO — CID 10563745

IUPAC1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(Br)=C2CCCC2)cc1
InChIInChI=1S/C13H15BrO/c1-15-12-8-6-11(7-9-12)13(14)10-4-2-3-5-10/h6-9H,2-5H2,1H3
InChIKeyLGEAPLUWDRIVFO-UHFFFAOYSA-N
MW267.17 g/mol
LogP4.38
Rot. Bonds2

About 1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene

1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene (PubChem CID 10563745) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene
PubChem CID10563745
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(Br)=C2CCCC2)cc1
InChIInChI=1S/C13H15BrO/c1-15-12-8-6-11(7-9-12)13(14)10-4-2-3-5-10/h6-9H,2-5H2,1H3
InChIKeyLGEAPLUWDRIVFO-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-cyclohexylideneprop-2-enyl)-4-methoxybenzene
CID 11096381
5-[cyclohexylidene-(4-methoxyphenyl)methyl]-1,2,3-trimethoxybenzene
CID 102045274
1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 11218918
CID 12714057
CID 12714057
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
2-(4-methoxybenzoyl)(113C)cyclohexan-1-one
CID 102598154
6-methoxy-1,2,3,4-tetrahydrophenanthrene
CID 14828207
3,3-dibromo-1-(4-methoxyphenyl)prop-2-en-1-one
CID 135039822
2-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123890436
4-[bromo-(1-methoxypiperidin-4-ylidene)methyl]benzaldehyde
CID 142966953
cyclohexanone;2-cyclohexylidene-2-(4-methoxyphenyl)acetonitrile;2-(4-methoxyphenyl)acetonitrile
CID 160949660
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene?
The IUPAC name of 1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene (CID 10563745) is 1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene?
The canonical SMILES for 1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene is COc1ccc(C(Br)=C2CCCC2)cc1.
What is the InChIKey of 1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene?
The InChIKey is LGEAPLUWDRIVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c1-15-12-8-6-11(7-9-12)13(14)10-4-2-3-5-10/h6-9H,2-5H2,1H3.
What are the key properties of 1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene?
1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene has a molecular weight of 267.17 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene is sourced from PubChem (CID 10563745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).