2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol

C16H14ClFO — CID 65147155

IUPAC2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol
SMILESOC1(Cc2ccc(F)cc2Cl)Cc2ccccc2C1
InChIInChI=1S/C16H14ClFO/c17-15-7-14(18)6-5-13(15)10-16(19)8-11-3-1-2-4-12(11)9-16/h1-7,19H,8-10H2
InChIKeyFRJKEGYLZBDAJZ-UHFFFAOYSA-N
MW276.74 g/mol
LogP3.55
Rot. Bonds2

About 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol

2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol (PubChem CID 65147155) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol
PubChem CID65147155
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol
SMILESOC1(Cc2ccc(F)cc2Cl)Cc2ccccc2C1
InChIInChI=1S/C16H14ClFO/c17-15-7-14(18)6-5-13(15)10-16(19)8-11-3-1-2-4-12(11)9-16/h1-7,19H,8-10H2
InChIKeyFRJKEGYLZBDAJZ-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 62621053
2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 106866083
3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65145900
2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 114851797
2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 65146307
3-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxothiolan-3-ol
CID 65145455
4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol
CID 65146803
3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol
CID 65146244
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873962
2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol
CID 60799487
1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79853110
4-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-naphthalene
CID 66049640

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol (CID 65147155) is 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol is OC1(Cc2ccc(F)cc2Cl)Cc2ccccc2C1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol?
The InChIKey is FRJKEGYLZBDAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c17-15-7-14(18)6-5-13(15)10-16(19)8-11-3-1-2-4-12(11)9-16/h1-7,19H,8-10H2.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol?
2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol has a molecular weight of 276.74 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol is sourced from PubChem (CID 65147155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).