7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol

C14H16Cl2O — CID 79331257

IUPAC7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol
SMILESOC1(Cc2ccc(Cl)c(Cl)c2)C2CCCCC21
InChIInChI=1S/C14H16Cl2O/c15-12-6-5-9(7-13(12)16)8-14(17)10-3-1-2-4-11(10)14/h5-7,10-11,17H,1-4,8H2
InChIKeyHYYNSTSTCRDDNM-UHFFFAOYSA-N
MW271.19 g/mol
LogP4.09
Rot. Bonds2

About 7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol

7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol (PubChem CID 79331257) has the molecular formula C14H16Cl2O and a molecular weight of 271.19 g/mol. Its IUPAC name is 7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol.

Molecular Properties

Compound Name7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol
PubChem CID79331257
Molecular FormulaC14H16Cl2O
Molecular Weight271.19 g/mol
Exact Mass270.06
IUPAC Name7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol
SMILESOC1(Cc2ccc(Cl)c(Cl)c2)C2CCCCC21
InChIInChI=1S/C14H16Cl2O/c15-12-6-5-9(7-13(12)16)8-14(17)10-3-1-2-4-11(10)14/h5-7,10-11,17H,1-4,8H2
InChIKeyHYYNSTSTCRDDNM-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(naphthalen-2-ylmethyl)bicyclo[3.1.0]hexan-6-ol
CID 79330727
6-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331044
1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65151513
6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331771
3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol
CID 65145994
(3aR,7aR)-7a-[(3,4-dichlorophenyl)methyl]-1,2,3,3a,4,5,6,7-octahydroisoindole
CID 53392851
1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene
CID 66033323
1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 63408298
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
1,2-dichloro-4-(2-cyclopentylethyl)benzene
CID 67484216
6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331242
1-[(3,4-dichlorophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 65394071

Frequently Asked Questions

What is the IUPAC name of 7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol?
The IUPAC name of 7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol (CID 79331257) is 7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol.
What is the SMILES notation for 7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol?
The canonical SMILES for 7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol is OC1(Cc2ccc(Cl)c(Cl)c2)C2CCCCC21.
What is the InChIKey of 7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol?
The InChIKey is HYYNSTSTCRDDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O/c15-12-6-5-9(7-13(12)16)8-14(17)10-3-1-2-4-11(10)14/h5-7,10-11,17H,1-4,8H2.
What are the key properties of 7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol?
7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol has a molecular weight of 271.19 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol is sourced from PubChem (CID 79331257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).