6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol

C16H22O — CID 115806982

IUPAC6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)C2C3CCCC32)cc1C
InChIInChI=1S/C16H22O/c1-9-7-11(3)14(8-10(9)2)16(17)15-12-5-4-6-13(12)15/h7-8,12-13,15-17H,4-6H2,1-3H3
InChIKeyBAEAHANDQHKFSF-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.69
Rot. Bonds2

About 6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol

6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol (PubChem CID 115806982) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol
PubChem CID115806982
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)C2C3CCCC32)cc1C
InChIInChI=1S/C16H22O/c1-9-7-11(3)14(8-10(9)2)16(17)15-12-5-4-6-13(12)15/h7-8,12-13,15-17H,4-6H2,1-3H3
InChIKeyBAEAHANDQHKFSF-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bicyclo[3.1.0]hexanyl-(2,3-dimethylphenyl)methanol
CID 115791560
7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759206
piperidin-4-yl-(2,4,5-trimethylphenyl)methanol
CID 80503850
thiolan-3-yl-(2,4,5-trimethylphenyl)methanol
CID 105103601
6-bicyclo[3.1.0]hexanyl-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130639381
(3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol
CID 114215811
6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine
CID 115852356
[6-bicyclo[3.1.0]hexanyl-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 105333015
cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol
CID 82049139
1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4,5-trimethylphenyl)methanol
CID 79968771
6-bicyclo[3.1.0]hexanyl-(3-methyltriazol-4-yl)methanol
CID 115835967
6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol
CID 115833955

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol (CID 115806982) is 6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol is Cc1cc(C)c(C(O)C2C3CCCC32)cc1C.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol?
The InChIKey is BAEAHANDQHKFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-9-7-11(3)14(8-10(9)2)16(17)15-12-5-4-6-13(12)15/h7-8,12-13,15-17H,4-6H2,1-3H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol?
6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol has a molecular weight of 230.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol is sourced from PubChem (CID 115806982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).