[3-(3-chloro-4-cyclopropyloxyphenyl)phenyl]methanol

C16H15ClO2 — CID 172649174

IUPAC[3-(3-chloro-4-cyclopropyloxyphenyl)phenyl]methanol
SMILESOCc1cccc(-c2ccc(OC3CC3)c(Cl)c2)c1
InChIInChI=1S/C16H15ClO2/c17-15-9-13(4-7-16(15)19-14-5-6-14)12-3-1-2-11(8-12)10-18/h1-4,7-9,14,18H,5-6,10H2
InChIKeyUIRLHGQMXUILDL-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.04
Rot. Bonds4

About [3-(3-chloro-4-cyclopropyloxyphenyl)phenyl]methanol

[3-(3-chloro-4-cyclopropyloxyphenyl)phenyl]methanol (PubChem CID 172649174) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is [3-(3-chloro-4-cyclopropyloxyphenyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(3-chloro-4-cyclopropyloxyphenyl)phenyl]methanol
PubChem CID172649174
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name[3-(3-chloro-4-cyclopropyloxyphenyl)phenyl]methanol
SMILESOCc1cccc(-c2ccc(OC3CC3)c(Cl)c2)c1
InChIInChI=1S/C16H15ClO2/c17-15-9-13(4-7-16(15)19-14-5-6-14)12-3-1-2-11(8-12)10-18/h1-4,7-9,14,18H,5-6,10H2
InChIKeyUIRLHGQMXUILDL-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-4-cyclopropyloxyphenyl)phenyl]methanol?
The IUPAC name of [3-(3-chloro-4-cyclopropyloxyphenyl)phenyl]methanol (CID 172649174) is [3-(3-chloro-4-cyclopropyloxyphenyl)phenyl]methanol.
What is the SMILES notation for [3-(3-chloro-4-cyclopropyloxyphenyl)phenyl]methanol?
The canonical SMILES for [3-(3-chloro-4-cyclopropyloxyphenyl)phenyl]methanol is OCc1cccc(-c2ccc(OC3CC3)c(Cl)c2)c1.
What is the InChIKey of [3-(3-chloro-4-cyclopropyloxyphenyl)phenyl]methanol?
The InChIKey is UIRLHGQMXUILDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c17-15-9-13(4-7-16(15)19-14-5-6-14)12-3-1-2-11(8-12)10-18/h1-4,7-9,14,18H,5-6,10H2.
What are the key properties of [3-(3-chloro-4-cyclopropyloxyphenyl)phenyl]methanol?
[3-(3-chloro-4-cyclopropyloxyphenyl)phenyl]methanol has a molecular weight of 274.75 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-4-cyclopropyloxyphenyl)phenyl]methanol is sourced from PubChem (CID 172649174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).