9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol

C16H22O — CID 10878971

IUPAC9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol
SMILESCc1ccccc1C1(O)C2CCCC1CCC2
InChIInChI=1S/C16H22O/c1-12-6-2-3-11-15(12)16(17)13-7-4-8-14(16)10-5-9-13/h2-3,6,11,13-14,17H,4-5,7-10H2,1H3
InChIKeyLAPFHTPZQXTLEQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.78
Rot. Bonds1

About 9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol

9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol (PubChem CID 10878971) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol
PubChem CID10878971
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol
SMILESCc1ccccc1C1(O)C2CCCC1CCC2
InChIInChI=1S/C16H22O/c1-12-6-2-3-11-15(12)16(17)13-7-4-8-14(16)10-5-9-13/h2-3,6,11,13-14,17H,4-5,7-10H2,1H3
InChIKeyLAPFHTPZQXTLEQ-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylphenyl)adamantan-2-ol
CID 14198294
cis-(1S,2S)-2-methyl-1-(2-methylphenyl)cyclohexan-1-ol
CID 21153344
3-(2-methylphenyl)thian-3-ol
CID 83688255
4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol
CID 65086146
2-cyclohexyl-1-(2-methylphenyl)cyclohexan-1-ol
CID 60794929
hydron;2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;chloride
CID 660869
(1S,5S)-9-(3-methyl-2-pyridinyl)-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 98064055
2,2-bis(2-methylphenyl)adamantane
CID 173019574
spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]
CID 123717351
6-methyl-3-(2-methylphenyl)thian-3-ol
CID 131251159
trans-(1S,2S)-2-(2,2-dimethylhydrazinyl)-1-(2-methylphenyl)cyclohexan-1-ol
CID 102137500
(1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol
CID 130927469

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol (CID 10878971) is 9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol is Cc1ccccc1C1(O)C2CCCC1CCC2.
What is the InChIKey of 9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol?
The InChIKey is LAPFHTPZQXTLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-12-6-2-3-11-15(12)16(17)13-7-4-8-14(16)10-5-9-13/h2-3,6,11,13-14,17H,4-5,7-10H2,1H3.
What are the key properties of 9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol?
9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol has a molecular weight of 230.35 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 10878971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).