(4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol

C17H17FO2 — CID 114518560

IUPAC(4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(OC3CC3)cc2)cc1F
InChIInChI=1S/C17H17FO2/c1-11-2-3-13(10-16(11)18)17(19)12-4-6-14(7-5-12)20-15-8-9-15/h2-7,10,15,17,19H,8-9H2,1H3
InChIKeyBITQIAIYQPZNCK-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.76
Rot. Bonds4

About (4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol

(4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol (PubChem CID 114518560) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol
PubChem CID114518560
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name(4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(OC3CC3)cc2)cc1F
InChIInChI=1S/C17H17FO2/c1-11-2-3-13(10-16(11)18)17(19)12-4-6-14(7-5-12)20-15-8-9-15/h2-7,10,15,17,19H,8-9H2,1H3
InChIKeyBITQIAIYQPZNCK-UHFFFAOYSA-N
XLogP3.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol
CID 114518537
(4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 115838370
(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115838349
(3-fluoro-4-methylphenyl)-(4-methoxyphenyl)methanol
CID 60798694
(3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol
CID 114518680
(4-cyclopropyloxyphenyl)-(2-fluoro-4-methylphenyl)methanol
CID 115838353
(4-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128111
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
CID 115838406
(4-cyclopropyloxyphenyl)-(4-cyclopropylphenyl)methanol
CID 114518662
1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 114521568
1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol
CID 114518527

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol?
The IUPAC name of (4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol (CID 114518560) is (4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol is Cc1ccc(C(O)c2ccc(OC3CC3)cc2)cc1F.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol?
The InChIKey is BITQIAIYQPZNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-11-2-3-13(10-16(11)18)17(19)12-4-6-14(7-5-12)20-15-8-9-15/h2-7,10,15,17,19H,8-9H2,1H3.
What are the key properties of (4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol?
(4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol has a molecular weight of 272.32 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol is sourced from PubChem (CID 114518560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).