1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol

C16H14ClFO — CID 105393720

IUPAC1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESOC1(c2cc(F)ccc2Cl)CCCc2ccccc21
InChIInChI=1S/C16H14ClFO/c17-15-8-7-12(18)10-14(15)16(19)9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10,19H,3,5,9H2
InChIKeyZPMUFGOEOKXCPF-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.05
Rot. Bonds1

About 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol

1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 105393720) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID105393720
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESOC1(c2cc(F)ccc2Cl)CCCc2ccccc21
InChIInChI=1S/C16H14ClFO/c17-15-8-7-12(18)10-14(15)16(19)9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10,19H,3,5,9H2
InChIKeyZPMUFGOEOKXCPF-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol
CID 55116074
4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 105393986
1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 107358956
5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60865693
5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62800863
1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 55120889
5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 107512073
1-(4-phenylphenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 54356816
4-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-naphthalene
CID 66049640
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol
CID 62801026

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol (CID 105393720) is 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol is OC1(c2cc(F)ccc2Cl)CCCc2ccccc21.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is ZPMUFGOEOKXCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c17-15-8-7-12(18)10-14(15)16(19)9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10,19H,3,5,9H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol?
1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 276.74 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 105393720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).