(2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol

C17H16ClFO — CID 81044939

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol
SMILESCc1cc(C(O)C2(c3ccccc3)CC2)c(Cl)cc1F
InChIInChI=1S/C17H16ClFO/c1-11-9-13(14(18)10-15(11)19)16(20)17(7-8-17)12-5-3-2-4-6-12/h2-6,9-10,16,20H,7-8H2,1H3
InChIKeyDJMHOBYXVFVXSY-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.55
Rot. Bonds3

About (2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol

(2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol (PubChem CID 81044939) has the molecular formula C17H16ClFO and a molecular weight of 290.77 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol
PubChem CID81044939
Molecular FormulaC17H16ClFO
Molecular Weight290.77 g/mol
Exact Mass290.09
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol
SMILESCc1cc(C(O)C2(c3ccccc3)CC2)c(Cl)cc1F
InChIInChI=1S/C17H16ClFO/c1-11-9-13(14(18)10-15(11)19)16(20)17(7-8-17)12-5-3-2-4-6-12/h2-6,9-10,16,20H,7-8H2,1H3
InChIKeyDJMHOBYXVFVXSY-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[bromo-(1-phenylcyclopropyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050510
(2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol
CID 105394462
(2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol
CID 55179614
1-[chloro-(1-phenylcyclopropyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79730806
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704
(1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol
CID 116836252
(2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 81045388
(2-chlorophenyl)-(1-phenylcyclohexyl)methanol
CID 63414657
(4-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methanol
CID 66271184
(5-fluoro-2-methoxyphenyl)-(1-phenylcyclopropyl)methanol
CID 62881250
(2,3-dichlorophenyl)-(1-phenylcyclobutyl)methanol
CID 63414305
(2-fluoro-4-methoxyphenyl)-(1-phenylcyclobutyl)methanol
CID 103395378

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol (CID 81044939) is (2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol is Cc1cc(C(O)C2(c3ccccc3)CC2)c(Cl)cc1F.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol?
The InChIKey is DJMHOBYXVFVXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO/c1-11-9-13(14(18)10-15(11)19)16(20)17(7-8-17)12-5-3-2-4-6-12/h2-6,9-10,16,20H,7-8H2,1H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol?
(2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol has a molecular weight of 290.77 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol is sourced from PubChem (CID 81044939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).