[1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol

C18H18ClFO — CID 107894915

IUPAC[1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESOCC1(Cc2ccc(Cl)c(F)c2)CCCc2ccccc21
InChIInChI=1S/C18H18ClFO/c19-16-8-7-13(10-17(16)20)11-18(12-21)9-3-5-14-4-1-2-6-15(14)18/h1-2,4,6-8,10,21H,3,5,9,11-12H2
InChIKeyQHKODOWVUFDXMP-UHFFFAOYSA-N
MW304.79 g/mol
LogP4.29
Rot. Bonds3

About [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol

[1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol (PubChem CID 107894915) has the molecular formula C18H18ClFO and a molecular weight of 304.79 g/mol. Its IUPAC name is [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
PubChem CID107894915
Molecular FormulaC18H18ClFO
Molecular Weight304.79 g/mol
Exact Mass304.10
IUPAC Name[1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESOCC1(Cc2ccc(Cl)c(F)c2)CCCc2ccccc21
InChIInChI=1S/C18H18ClFO/c19-16-8-7-13(10-17(16)20)11-18(12-21)9-3-5-14-4-1-2-6-15(14)18/h1-2,4,6-8,10,21H,3,5,9,11-12H2
InChIKeyQHKODOWVUFDXMP-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 107897274
[1-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 66058551
4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
CID 66049410
4-[(3-bromo-4-fluorophenyl)methyl]-4-(bromomethyl)-2,3-dihydro-1H-naphthalene
CID 66048537
[1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol
CID 107894887
(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 66059601
[1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol
CID 114013678
[1-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 66058133
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
CID 107883416
1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883405
[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 65318575
5-[(3-chloro-4-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 103039214

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The IUPAC name of [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol (CID 107894915) is [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol.
What is the SMILES notation for [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The canonical SMILES for [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol is OCC1(Cc2ccc(Cl)c(F)c2)CCCc2ccccc21.
What is the InChIKey of [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The InChIKey is QHKODOWVUFDXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFO/c19-16-8-7-13(10-17(16)20)11-18(12-21)9-3-5-14-4-1-2-6-15(14)18/h1-2,4,6-8,10,21H,3,5,9,11-12H2.
What are the key properties of [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
[1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol has a molecular weight of 304.79 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol is sourced from PubChem (CID 107894915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).