(4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol

C18H14ClFO — CID 79592562

IUPAC(4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(Cl)c3ccccc23)cc1F
InChIInChI=1S/C18H14ClFO/c1-11-6-7-12(10-17(11)20)18(21)15-8-9-16(19)14-5-3-2-4-13(14)15/h2-10,18,21H,1H3
InChIKeyVZRFRHIVNBDAHT-UHFFFAOYSA-N
MW300.76 g/mol
LogP5.02
Rot. Bonds2

About (4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol

(4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol (PubChem CID 79592562) has the molecular formula C18H14ClFO and a molecular weight of 300.76 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol
PubChem CID79592562
Molecular FormulaC18H14ClFO
Molecular Weight300.76 g/mol
Exact Mass300.07
IUPAC Name(4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(Cl)c3ccccc23)cc1F
InChIInChI=1S/C18H14ClFO/c1-11-6-7-12(10-17(11)20)18(21)15-8-9-16(19)14-5-3-2-4-13(14)15/h2-10,18,21H,1H3
InChIKeyVZRFRHIVNBDAHT-UHFFFAOYSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.76
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130625
(4-chloro-3-fluorophenyl)-(2-methylphenyl)methanol
CID 63895727
(2-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130732
1-benzofuran-3-yl-(3-fluoro-4-methylphenyl)methanol
CID 107128161
(3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol
CID 81317253
(4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol
CID 79597180
1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
CID 107991970
(3-fluoro-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 62789611
(3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol
CID 81460126
(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine
CID 107998798
(2-bromo-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114024297
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556

Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol?
The IUPAC name of (4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol (CID 79592562) is (4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol.
What is the SMILES notation for (4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol?
The canonical SMILES for (4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol is Cc1ccc(C(O)c2ccc(Cl)c3ccccc23)cc1F.
What is the InChIKey of (4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol?
The InChIKey is VZRFRHIVNBDAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFO/c1-11-6-7-12(10-17(11)20)18(21)15-8-9-16(19)14-5-3-2-4-13(14)15/h2-10,18,21H,1H3.
What are the key properties of (4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol?
(4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol has a molecular weight of 300.76 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol is sourced from PubChem (CID 79592562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).