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

C17H16ClFO — CID 114851797

IUPAC2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(Cc2ccc(Cl)cc2F)CCc2ccccc2C1
InChIInChI=1S/C17H16ClFO/c18-15-6-5-14(16(19)9-15)11-17(20)8-7-12-3-1-2-4-13(12)10-17/h1-6,9,20H,7-8,10-11H2
InChIKeyBUNIYSYKEMCPBC-UHFFFAOYSA-N
MW290.77 g/mol
LogP3.94
Rot. Bonds2

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

2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 114851797) has the molecular formula C17H16ClFO and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID114851797
Molecular FormulaC17H16ClFO
Molecular Weight290.77 g/mol
Exact Mass290.09
IUPAC Name2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(Cc2ccc(Cl)cc2F)CCc2ccccc2C1
InChIInChI=1S/C17H16ClFO/c18-15-6-5-14(16(19)9-15)11-17(20)8-7-12-3-1-2-4-13(12)10-17/h1-6,9,20H,7-8,10-11H2
InChIKeyBUNIYSYKEMCPBC-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 114861522
1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
CID 114852385
2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 106866083
2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 65146307
2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147155
1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine
CID 114853430
6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 63633059
5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 114853405
4-[(4-chloro-2-fluorophenyl)methyl]-1-methylazepan-4-ol
CID 114852273
4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene
CID 114861894
3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol
CID 114852550
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
CID 114853412

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (CID 114851797) is 2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is OC1(Cc2ccc(Cl)cc2F)CCc2ccccc2C1.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is BUNIYSYKEMCPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO/c18-15-6-5-14(16(19)9-15)11-17(20)8-7-12-3-1-2-4-13(12)10-17/h1-6,9,20H,7-8,10-11H2.
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 290.77 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 114851797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).