[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanol

C16H22O2 — CID 6482551

IUPAC[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanol
SMILESOC(c1ccc(OCC2CCCC2)cc1)C1CC1
InChIInChI=1S/C16H22O2/c17-16(13-5-6-13)14-7-9-15(10-8-14)18-11-12-3-1-2-4-12/h7-10,12-13,16-17H,1-6,11H2
InChIKeyGFCPRIVUTJEJRV-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.70
Rot. Bonds5

About [4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanol

[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanol (PubChem CID 6482551) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is [4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanol.

Molecular Properties

Compound Name[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanol
PubChem CID6482551
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanol
SMILESOC(c1ccc(OCC2CCCC2)cc1)C1CC1
InChIInChI=1S/C16H22O2/c17-16(13-5-6-13)14-7-9-15(10-8-14)18-11-12-3-1-2-4-12/h7-10,12-13,16-17H,1-6,11H2
InChIKeyGFCPRIVUTJEJRV-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanol?
The IUPAC name of [4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanol (CID 6482551) is [4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanol.
What is the SMILES notation for [4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanol?
The canonical SMILES for [4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanol is OC(c1ccc(OCC2CCCC2)cc1)C1CC1.
What is the InChIKey of [4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanol?
The InChIKey is GFCPRIVUTJEJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c17-16(13-5-6-13)14-7-9-15(10-8-14)18-11-12-3-1-2-4-12/h7-10,12-13,16-17H,1-6,11H2.
What are the key properties of [4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanol?
[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanol has a molecular weight of 246.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanol is sourced from PubChem (CID 6482551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).