4-chloro-2-[(2-fluorophenyl)-hydroxymethyl]phenol

C13H10ClFO2 — CID 21400433

IUPAC4-chloro-2-[(2-fluorophenyl)-hydroxymethyl]phenol
SMILESOc1ccc(Cl)cc1C(O)c1ccccc1F
InChIInChI=1S/C13H10ClFO2/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,13,16-17H
InChIKeyMARWEJFBSHNZOG-UHFFFAOYSA-N
MW252.67 g/mol
LogP3.27
Rot. Bonds2

About 4-chloro-2-[(2-fluorophenyl)-hydroxymethyl]phenol

4-chloro-2-[(2-fluorophenyl)-hydroxymethyl]phenol (PubChem CID 21400433) has the molecular formula C13H10ClFO2 and a molecular weight of 252.67 g/mol. Its IUPAC name is 4-chloro-2-[(2-fluorophenyl)-hydroxymethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(2-fluorophenyl)-hydroxymethyl]phenol
PubChem CID21400433
Molecular FormulaC13H10ClFO2
Molecular Weight252.67 g/mol
Exact Mass252.04
IUPAC Name4-chloro-2-[(2-fluorophenyl)-hydroxymethyl]phenol
SMILESOc1ccc(Cl)cc1C(O)c1ccccc1F
InChIInChI=1S/C13H10ClFO2/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,13,16-17H
InChIKeyMARWEJFBSHNZOG-UHFFFAOYSA-N
XLogP3.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18424663
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(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol
CID 104543259
(3,4-difluorophenyl)-(2-fluorophenyl)methanol
CID 61088873
2-[(S)-amino-(2-fluorophenyl)methyl]-4-chloroaniline
CID 147690972
(5-chloro-2-methylphenyl)-(2,3-difluorophenyl)methanol
CID 115800933
(5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanol
CID 61100029
5-chloro-2-(2-fluorophenyl)phenol
CID 46314337
(5-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol
CID 114853062
benzene-1,2-diol;4-chlorobenzene-1,2-diol
CID 22153361
2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol
CID 43716635

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-fluorophenyl)-hydroxymethyl]phenol?
The IUPAC name of 4-chloro-2-[(2-fluorophenyl)-hydroxymethyl]phenol (CID 21400433) is 4-chloro-2-[(2-fluorophenyl)-hydroxymethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(2-fluorophenyl)-hydroxymethyl]phenol?
The canonical SMILES for 4-chloro-2-[(2-fluorophenyl)-hydroxymethyl]phenol is Oc1ccc(Cl)cc1C(O)c1ccccc1F.
What is the InChIKey of 4-chloro-2-[(2-fluorophenyl)-hydroxymethyl]phenol?
The InChIKey is MARWEJFBSHNZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO2/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,13,16-17H.
What are the key properties of 4-chloro-2-[(2-fluorophenyl)-hydroxymethyl]phenol?
4-chloro-2-[(2-fluorophenyl)-hydroxymethyl]phenol has a molecular weight of 252.67 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-fluorophenyl)-hydroxymethyl]phenol is sourced from PubChem (CID 21400433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).