[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol

C16H22O2 — CID 79552519

IUPAC[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol
SMILESCc1ccc(OCC2CC3CCC2C3)c(CO)c1
InChIInChI=1S/C16H22O2/c1-11-2-5-16(14(6-11)9-17)18-10-15-8-12-3-4-13(15)7-12/h2,5-6,12-13,15,17H,3-4,7-10H2,1H3
InChIKeyMGILOXILZCRKHF-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.30
Rot. Bonds4

About [2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol

[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol (PubChem CID 79552519) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol.

Molecular Properties

Compound Name[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol
PubChem CID79552519
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol
SMILESCc1ccc(OCC2CC3CCC2C3)c(CO)c1
InChIInChI=1S/C16H22O2/c1-11-2-5-16(14(6-11)9-17)18-10-15-8-12-3-4-13(15)7-12/h2,5-6,12-13,15,17H,3-4,7-10H2,1H3
InChIKeyMGILOXILZCRKHF-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol with MolForge

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Related Compounds

[2-(cyclopentylmethoxy)-5-methylphenyl]methanol
CID 63325672
[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
CID 54595110
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine
CID 79562179
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 79554576
[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine
CID 79554484
4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline
CID 79554738
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine
CID 107701303
3-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]prop-2-yn-1-ol
CID 79561131
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]ethanol
CID 79552161
2-[2-chloro-2-(2-ethoxy-5-methylphenyl)ethyl]bicyclo[2.2.1]heptane
CID 63444504
(2-cyclobutyloxy-5-methylphenyl)methanol
CID 84664151
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 11923511

Frequently Asked Questions

What is the IUPAC name of [2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol?
The IUPAC name of [2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol (CID 79552519) is [2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol.
What is the SMILES notation for [2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol?
The canonical SMILES for [2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol is Cc1ccc(OCC2CC3CCC2C3)c(CO)c1.
What is the InChIKey of [2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol?
The InChIKey is MGILOXILZCRKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11-2-5-16(14(6-11)9-17)18-10-15-8-12-3-4-13(15)7-12/h2,5-6,12-13,15,17H,3-4,7-10H2,1H3.
What are the key properties of [2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol?
[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol has a molecular weight of 246.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol is sourced from PubChem (CID 79552519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).