1-[(4-hydroxyphenyl)methyl]cyclopentane-1-carbaldehyde

C13H16O2 — CID 130700503

IUPAC1-[(4-hydroxyphenyl)methyl]cyclopentane-1-carbaldehyde
SMILESO=CC1(Cc2ccc(O)cc2)CCCC1
InChIInChI=1S/C13H16O2/c14-10-13(7-1-2-8-13)9-11-3-5-12(15)6-4-11/h3-6,10,15H,1-2,7-9H2
InChIKeyNXVQVXBNTQYLBZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.69
Rot. Bonds3

About 1-[(4-hydroxyphenyl)methyl]cyclopentane-1-carbaldehyde

1-[(4-hydroxyphenyl)methyl]cyclopentane-1-carbaldehyde (PubChem CID 130700503) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]cyclopentane-1-carbaldehyde
PubChem CID130700503
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-[(4-hydroxyphenyl)methyl]cyclopentane-1-carbaldehyde
SMILESO=CC1(Cc2ccc(O)cc2)CCCC1
InChIInChI=1S/C13H16O2/c14-10-13(7-1-2-8-13)9-11-3-5-12(15)6-4-11/h3-6,10,15H,1-2,7-9H2
InChIKeyNXVQVXBNTQYLBZ-UHFFFAOYSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde
CID 131113832
1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile
CID 80602331
4-[(3-fluoropiperidin-3-yl)methyl]phenol
CID 112562864
4-[2-(1-hydroxycyclobutyl)ethyl]phenol
CID 59527196
4-[[1-(methylamino)cyclopropyl]methyl]phenol
CID 83683246
2-[(4-hydroxyphenyl)methyl]oxirane-2-carboxylic acid
CID 86123845
4-[(1-fluorocyclopentyl)methyl]benzaldehyde
CID 84722284
4-[(3-methoxypyrrolidin-3-yl)methyl]phenol
CID 105460442
1-[(2-chloro-4-fluorophenyl)methyl]cyclobutane-1-carbaldehyde
CID 131113843
N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 115696780
1-[[2-(4-hydroxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120540141
2-[1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164329

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]cyclopentane-1-carbaldehyde (CID 130700503) is 1-[(4-hydroxyphenyl)methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]cyclopentane-1-carbaldehyde is O=CC1(Cc2ccc(O)cc2)CCCC1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]cyclopentane-1-carbaldehyde?
The InChIKey is NXVQVXBNTQYLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c14-10-13(7-1-2-8-13)9-11-3-5-12(15)6-4-11/h3-6,10,15H,1-2,7-9H2.
What are the key properties of 1-[(4-hydroxyphenyl)methyl]cyclopentane-1-carbaldehyde?
1-[(4-hydroxyphenyl)methyl]cyclopentane-1-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 130700503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).