1-(cyclopropylmethyl)-4-methoxybenzene

C11H14O — CID 6422476

IUPAC1-(cyclopropylmethyl)-4-methoxybenzene
SMILESCOc1ccc(CC2CC2)cc1
InChIInChI=1S/C11H14O/c1-12-11-6-4-10(5-7-11)8-9-2-3-9/h4-7,9H,2-3,8H2,1H3
InChIKeySHLSJFDJYSSUIP-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.65
Rot. Bonds3

About 1-(cyclopropylmethyl)-4-methoxybenzene

1-(cyclopropylmethyl)-4-methoxybenzene (PubChem CID 6422476) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-methoxybenzene
PubChem CID6422476
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name1-(cyclopropylmethyl)-4-methoxybenzene
SMILESCOc1ccc(CC2CC2)cc1
InChIInChI=1S/C11H14O/c1-12-11-6-4-10(5-7-11)8-9-2-3-9/h4-7,9H,2-3,8H2,1H3
InChIKeySHLSJFDJYSSUIP-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-hydroxy-4-[(4-methoxyphenyl)methyl]piperidine
CID 122445485
3-[(4-methoxyphenyl)methyl]azetidine
CID 16780470
(3S)-3-[(4-methoxyphenyl)methyl]pyrrolidin-1-ium
CID 7016807
4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931792
2-[(4-methoxyphenyl)methyl]azetidine
CID 71756117
4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 79423001
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
1,3,5-tris[(4-methoxyphenyl)methyl]triazinane
CID 69010475
2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 13024939
2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 47091693
[(3S,4aR,6S,8aS)-6-[(4-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol
CID 57266090
1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
CID 91321679

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-methoxybenzene?
The IUPAC name of 1-(cyclopropylmethyl)-4-methoxybenzene (CID 6422476) is 1-(cyclopropylmethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-methoxybenzene?
The canonical SMILES for 1-(cyclopropylmethyl)-4-methoxybenzene is COc1ccc(CC2CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-methoxybenzene?
The InChIKey is SHLSJFDJYSSUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-12-11-6-4-10(5-7-11)8-9-2-3-9/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-methoxybenzene?
1-(cyclopropylmethyl)-4-methoxybenzene has a molecular weight of 162.23 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-methoxybenzene is sourced from PubChem (CID 6422476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).