1-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroinden-1-ol

C17H16ClFO — CID 102856994

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroinden-1-ol
SMILESCc1ccc2c(c1)C(O)(Cc1cccc(Cl)c1F)CC2
InChIInChI=1S/C17H16ClFO/c1-11-5-6-12-7-8-17(20,14(12)9-11)10-13-3-2-4-15(18)16(13)19/h2-6,9,20H,7-8,10H2,1H3
InChIKeyGLMIHUINNJNUCF-UHFFFAOYSA-N
MW290.76 g/mol
LogP4.16
Rot. Bonds2

About 1-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroinden-1-ol

1-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroinden-1-ol (PubChem CID 102856994) has the molecular formula C17H16ClFO and a molecular weight of 290.76 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroinden-1-ol
PubChem CID102856994
Molecular FormulaC17H16ClFO
Molecular Weight290.76 g/mol
Exact Mass290.09
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroinden-1-ol
SMILESCc1ccc2c(c1)C(O)(Cc1cccc(Cl)c1F)CC2
InChIInChI=1S/C17H16ClFO/c1-11-5-6-12-7-8-17(20,14(12)9-11)10-13-3-2-4-15(18)16(13)19/h2-6,9,20H,7-8,10H2,1H3
InChIKeyGLMIHUINNJNUCF-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.76
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 102856985
1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
4-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxycyclohexan-1-one
CID 102856928
1-(furan-3-ylmethyl)-6-methyl-2,3-dihydroinden-1-ol
CID 83172065
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 102856900
8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol
CID 102857061
[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 102858966
[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
CID 102863615
5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60799204
3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol
CID 102857011
[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methanol
CID 102863614
1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
CID 83069879

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroinden-1-ol (CID 102856994) is 1-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroinden-1-ol is Cc1ccc2c(c1)C(O)(Cc1cccc(Cl)c1F)CC2.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroinden-1-ol?
The InChIKey is GLMIHUINNJNUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO/c1-11-5-6-12-7-8-17(20,14(12)9-11)10-13-3-2-4-15(18)16(13)19/h2-6,9,20H,7-8,10H2,1H3.
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroinden-1-ol?
1-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroinden-1-ol has a molecular weight of 290.76 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 102856994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).