(4-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol

C17H12ClFO — CID 63081233

IUPAC(4-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol
SMILESOC(c1ccc2ccccc2c1)c1ccc(Cl)cc1F
InChIInChI=1S/C17H12ClFO/c18-14-7-8-15(16(19)10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,17,20H
InChIKeyCKBLAVFDJAVBID-UHFFFAOYSA-N
MW286.73 g/mol
LogP4.71
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol

(4-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol (PubChem CID 63081233) has the molecular formula C17H12ClFO and a molecular weight of 286.73 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol
PubChem CID63081233
Molecular FormulaC17H12ClFO
Molecular Weight286.73 g/mol
Exact Mass286.06
IUPAC Name(4-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol
SMILESOC(c1ccc2ccccc2c1)c1ccc(Cl)cc1F
InChIInChI=1S/C17H12ClFO/c18-14-7-8-15(16(19)10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,17,20H
InChIKeyCKBLAVFDJAVBID-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol
CID 114853062
(2,4-difluorophenyl)-naphthalen-2-ylmethanol
CID 61087912
(2-fluoro-4-methylphenyl)-naphthalen-2-ylmethanol
CID 115792718
(4-bromo-2-fluorophenyl)-naphthalen-2-ylmethanol
CID 63894323
(4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol
CID 115827844
(4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 61101398
(2-methylsulfanylphenyl)-naphthalen-2-ylmethanol
CID 115792773
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol
CID 63082099
(3,4-difluorophenyl)-(2-fluorophenyl)methanol
CID 61088873
[4-chloro-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol
CID 141261609
2-chloronaphthalene;naphthalene
CID 159169098
(5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanol
CID 61100029

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol?
The IUPAC name of (4-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol (CID 63081233) is (4-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol?
The canonical SMILES for (4-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol is OC(c1ccc2ccccc2c1)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol?
The InChIKey is CKBLAVFDJAVBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFO/c18-14-7-8-15(16(19)10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,17,20H.
What are the key properties of (4-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol?
(4-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol has a molecular weight of 286.73 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol is sourced from PubChem (CID 63081233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).