3-(4-chloro-2-fluorophenyl)propan-1-ol

C9H10ClFO — CID 53425229

IUPAC3-(4-chloro-2-fluorophenyl)propan-1-ol
SMILESOCCCc1ccc(Cl)cc1F
InChIInChI=1S/C9H10ClFO/c10-8-4-3-7(2-1-5-12)9(11)6-8/h3-4,6,12H,1-2,5H2
InChIKeyJMNOLSBYEFUKIB-UHFFFAOYSA-N
MW188.63 g/mol
LogP2.40
Rot. Bonds3

About 3-(4-chloro-2-fluorophenyl)propan-1-ol

3-(4-chloro-2-fluorophenyl)propan-1-ol (PubChem CID 53425229) has the molecular formula C9H10ClFO and a molecular weight of 188.63 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)propan-1-ol
PubChem CID53425229
Molecular FormulaC9H10ClFO
Molecular Weight188.63 g/mol
Exact Mass188.04
IUPAC Name3-(4-chloro-2-fluorophenyl)propan-1-ol
SMILESOCCCc1ccc(Cl)cc1F
InChIInChI=1S/C9H10ClFO/c10-8-4-3-7(2-1-5-12)9(11)6-8/h3-4,6,12H,1-2,5H2
InChIKeyJMNOLSBYEFUKIB-UHFFFAOYSA-N
XLogP2.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chloro-2-fluorophenyl)-1-cyclopropylbutan-1-one
CID 114859961
4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol
CID 114860116
4-(2,5-dichlorophenyl)butan-1-ol
CID 65316386
2,3-difluoro-6-(3-hydroxypropyl)phenol
CID 117280989
3-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol
CID 117311678
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
1-(4-bromo-5-methylhexyl)-4-chloro-2-fluorobenzene
CID 114860163
O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
CID 117281685
3-(2,4-difluoro-3-methylphenyl)propan-1-ol
CID 66733705
4-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 59192502
6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine
CID 114860039
sodium;2-(4-chloro-2-fluorophenyl)ethanesulfonic acid;hydride
CID 173143552

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)propan-1-ol (CID 53425229) is 3-(4-chloro-2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)propan-1-ol is OCCCc1ccc(Cl)cc1F.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)propan-1-ol?
The InChIKey is JMNOLSBYEFUKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO/c10-8-4-3-7(2-1-5-12)9(11)6-8/h3-4,6,12H,1-2,5H2.
What are the key properties of 3-(4-chloro-2-fluorophenyl)propan-1-ol?
3-(4-chloro-2-fluorophenyl)propan-1-ol has a molecular weight of 188.63 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 53425229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).