3-[hydroxy-(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-one

C15H18O3 — CID 18367392

IUPAC3-[hydroxy-(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-one
SMILESCOc1cccc(C(O)C2C(=O)C3CCC2C3)c1
InChIInChI=1S/C15H18O3/c1-18-12-4-2-3-10(8-12)14(16)13-9-5-6-11(7-9)15(13)17/h2-4,8-9,11,13-14,16H,5-7H2,1H3
InChIKeyDABOPQYORITSKY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.34
Rot. Bonds3

About 3-[hydroxy-(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-one

3-[hydroxy-(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-one (PubChem CID 18367392) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[hydroxy-(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name3-[hydroxy-(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-one
PubChem CID18367392
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name3-[hydroxy-(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-one
SMILESCOc1cccc(C(O)C2C(=O)C3CCC2C3)c1
InChIInChI=1S/C15H18O3/c1-18-12-4-2-3-10(8-12)14(16)13-9-5-6-11(7-9)15(13)17/h2-4,8-9,11,13-14,16H,5-7H2,1H3
InChIKeyDABOPQYORITSKY-UHFFFAOYSA-N
XLogP2.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 135016515
(3-methoxyphenyl)-[(2S)-piperidin-2-yl]methanol
CID 69187424
(4-ethylcyclohexyl)-(3-methoxyphenyl)methanol
CID 64749539
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
CID 141244570
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol
CID 116712494
1,4-dithian-2-yl-(3-methoxyphenyl)methanol
CID 79972446
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
(3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[hydroxy-(3-methoxyphenyl)methyl]oxolan-2-one
CID 53320609
2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol
CID 81134950
1-(3-methoxyphenyl)butan-1-ol
CID 2793894

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy-(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 3-[hydroxy-(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-one (CID 18367392) is 3-[hydroxy-(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 3-[hydroxy-(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 3-[hydroxy-(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-one is COc1cccc(C(O)C2C(=O)C3CCC2C3)c1.
What is the InChIKey of 3-[hydroxy-(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-one?
The InChIKey is DABOPQYORITSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-18-12-4-2-3-10(8-12)14(16)13-9-5-6-11(7-9)15(13)17/h2-4,8-9,11,13-14,16H,5-7H2,1H3.
What are the key properties of 3-[hydroxy-(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-one?
3-[hydroxy-(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy-(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 18367392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).