[3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol

C12H16O2 — CID 117115755

IUPAC[3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol
SMILESCOCC1(c2cccc(CO)c2)CC1
InChIInChI=1S/C12H16O2/c1-14-9-12(5-6-12)11-4-2-3-10(7-11)8-13/h2-4,7,13H,5-6,8-9H2,1H3
InChIKeyIICDKXXMPRWFIJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.86
Rot. Bonds4

About [3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol

[3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol (PubChem CID 117115755) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is [3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol
PubChem CID117115755
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name[3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol
SMILESCOCC1(c2cccc(CO)c2)CC1
InChIInChI=1S/C12H16O2/c1-14-9-12(5-6-12)11-4-2-3-10(7-11)8-13/h2-4,7,13H,5-6,8-9H2,1H3
InChIKeyIICDKXXMPRWFIJ-UHFFFAOYSA-N
XLogP1.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol?
The IUPAC name of [3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol (CID 117115755) is [3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol.
What is the SMILES notation for [3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol?
The canonical SMILES for [3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol is COCC1(c2cccc(CO)c2)CC1.
What is the InChIKey of [3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol?
The InChIKey is IICDKXXMPRWFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-14-9-12(5-6-12)11-4-2-3-10(7-11)8-13/h2-4,7,13H,5-6,8-9H2,1H3.
What are the key properties of [3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol?
[3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol has a molecular weight of 192.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol is sourced from PubChem (CID 117115755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).