[3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol

C14H16Cl2O — CID 107310746

IUPAC[3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol
SMILESOCC1(Cc2cccc(Cl)c2Cl)CC2CC2C1
InChIInChI=1S/C14H16Cl2O/c15-12-3-1-2-9(13(12)16)5-14(8-17)6-10-4-11(10)7-14/h1-3,10-11,17H,4-8H2
InChIKeyRWUYQEGHGDDIFT-UHFFFAOYSA-N
MW271.19 g/mol
LogP3.94
Rot. Bonds3

About [3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol

[3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol (PubChem CID 107310746) has the molecular formula C14H16Cl2O and a molecular weight of 271.19 g/mol. Its IUPAC name is [3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol.

Molecular Properties

Compound Name[3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol
PubChem CID107310746
Molecular FormulaC14H16Cl2O
Molecular Weight271.19 g/mol
Exact Mass270.06
IUPAC Name[3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol
SMILESOCC1(Cc2cccc(Cl)c2Cl)CC2CC2C1
InChIInChI=1S/C14H16Cl2O/c15-12-3-1-2-9(13(12)16)5-14(8-17)6-10-4-11(10)7-14/h1-3,10-11,17H,4-8H2
InChIKeyRWUYQEGHGDDIFT-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine
CID 112654253
[1-[(2-chlorophenyl)methyl]cyclopropyl]methanol
CID 66024776
N-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine
CID 115984266
3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine
CID 107310931
[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
CID 102863615
[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methanol
CID 102863614
1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol
CID 107309473
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol
CID 107307502
3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 107310336
(3aR,6aS)-2-[(2,3-dichlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 138809540
[3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 66059643

Frequently Asked Questions

What is the IUPAC name of [3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol?
The IUPAC name of [3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol (CID 107310746) is [3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol.
What is the SMILES notation for [3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol?
The canonical SMILES for [3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol is OCC1(Cc2cccc(Cl)c2Cl)CC2CC2C1.
What is the InChIKey of [3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol?
The InChIKey is RWUYQEGHGDDIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O/c15-12-3-1-2-9(13(12)16)5-14(8-17)6-10-4-11(10)7-14/h1-3,10-11,17H,4-8H2.
What are the key properties of [3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol?
[3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol has a molecular weight of 271.19 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,3-dichlorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanol is sourced from PubChem (CID 107310746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).