1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol

C17H24Cl2O — CID 65151513

IUPAC1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H24Cl2O/c1-2-4-13-5-3-9-17(20,10-8-13)12-14-6-7-15(18)16(19)11-14/h6-7,11,13,20H,2-5,8-10,12H2,1H3
InChIKeyAJDKUQRWNHOCTQ-UHFFFAOYSA-N
MW315.28 g/mol
LogP5.65
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol

1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol (PubChem CID 65151513) has the molecular formula C17H24Cl2O and a molecular weight of 315.28 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol
PubChem CID65151513
Molecular FormulaC17H24Cl2O
Molecular Weight315.28 g/mol
Exact Mass314.12
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H24Cl2O/c1-2-4-13-5-3-9-17(20,10-8-13)12-14-6-7-15(18)16(19)11-14/h6-7,11,13,20H,2-5,8-10,12H2,1H3
InChIKeyAJDKUQRWNHOCTQ-UHFFFAOYSA-N
XLogP5.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.28
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090405
1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol
CID 65147469
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090912
1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090602
1-[(3-bromo-4-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65086137
1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65151861
1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 107307327
1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 65147671
7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol
CID 79331257
1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol
CID 107046101
1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 103039036
1-(3-phenylpropyl)-4-propylcycloheptan-1-ol
CID 65151413

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol (CID 65151513) is 1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol is CCCC1CCCC(O)(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol?
The InChIKey is AJDKUQRWNHOCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2O/c1-2-4-13-5-3-9-17(20,10-8-13)12-14-6-7-15(18)16(19)11-14/h6-7,11,13,20H,2-5,8-10,12H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol?
1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol has a molecular weight of 315.28 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol is sourced from PubChem (CID 65151513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).