4-(phenylmethoxymethyl)cyclopentane-1,2-diol

C13H18O3 — CID 12717277

IUPAC4-(phenylmethoxymethyl)cyclopentane-1,2-diol
SMILESOC1CC(COCc2ccccc2)CC1O
InChIInChI=1S/C13H18O3/c14-12-6-11(7-13(12)15)9-16-8-10-4-2-1-3-5-10/h1-5,11-15H,6-9H2
InChIKeyWZABEFWFEGXKMG-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.34
Rot. Bonds4

About 4-(phenylmethoxymethyl)cyclopentane-1,2-diol

4-(phenylmethoxymethyl)cyclopentane-1,2-diol (PubChem CID 12717277) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-(phenylmethoxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name4-(phenylmethoxymethyl)cyclopentane-1,2-diol
PubChem CID12717277
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name4-(phenylmethoxymethyl)cyclopentane-1,2-diol
SMILESOC1CC(COCc2ccccc2)CC1O
InChIInChI=1S/C13H18O3/c14-12-6-11(7-13(12)15)9-16-8-10-4-2-1-3-5-10/h1-5,11-15H,6-9H2
InChIKeyWZABEFWFEGXKMG-UHFFFAOYSA-N
XLogP1.34
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
(3-propan-2-yloxycyclobutyl)methoxymethylbenzene
CID 160749410
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine
CID 166118396
2-[3-(phenylmethoxymethyl)cyclobutyl]oxyacetic acid
CID 155437936
2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831
cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
CID 86659751
(3-azidocyclobutyl)methoxymethylbenzene
CID 86035077
methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate
CID 59252300
3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850
3-(phenylmethoxymethyl)cyclohexane-1-carbothioamide
CID 166694250
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209

Frequently Asked Questions

What is the IUPAC name of 4-(phenylmethoxymethyl)cyclopentane-1,2-diol?
The IUPAC name of 4-(phenylmethoxymethyl)cyclopentane-1,2-diol (CID 12717277) is 4-(phenylmethoxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for 4-(phenylmethoxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for 4-(phenylmethoxymethyl)cyclopentane-1,2-diol is OC1CC(COCc2ccccc2)CC1O.
What is the InChIKey of 4-(phenylmethoxymethyl)cyclopentane-1,2-diol?
The InChIKey is WZABEFWFEGXKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c14-12-6-11(7-13(12)15)9-16-8-10-4-2-1-3-5-10/h1-5,11-15H,6-9H2.
What are the key properties of 4-(phenylmethoxymethyl)cyclopentane-1,2-diol?
4-(phenylmethoxymethyl)cyclopentane-1,2-diol has a molecular weight of 222.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylmethoxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 12717277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).