(3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone

C16H18O2 — CID 114097286

IUPAC(3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
SMILESCOc1cccc(C(=O)C2C3C4CCC(C4)C23)c1
InChIInChI=1S/C16H18O2/c1-18-12-4-2-3-11(8-12)16(17)15-13-9-5-6-10(7-9)14(13)15/h2-4,8-10,13-15H,5-7H2,1H3
InChIKeyCVXDSSGUFFGVSO-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.17
Rot. Bonds3

About (3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone

(3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone (PubChem CID 114097286) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
PubChem CID114097286
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name(3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
SMILESCOc1cccc(C(=O)C2C3C4CCC(C4)C23)c1
InChIInChI=1S/C16H18O2/c1-18-12-4-2-3-11(8-12)16(17)15-13-9-5-6-10(7-9)14(13)15/h2-4,8-10,13-15H,5-7H2,1H3
InChIKeyCVXDSSGUFFGVSO-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
(1R,2R,4R,5R)-N-(3-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98160421
(3-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114962440
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
3-(3-methoxybenzoyl)oxolan-2-one
CID 59244973
cis-(1R,3S)-3-(3-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 24722452
5-(3-methoxybenzoyl)oxolan-2-one
CID 82127589
cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone
CID 175706022
(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523789
(3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171944232
(1S,2R,3S,4S)-3-[(3-methoxyphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51021594
(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone
CID 95442884

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone?
The IUPAC name of (3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone (CID 114097286) is (3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone is COc1cccc(C(=O)C2C3C4CCC(C4)C23)c1.
What is the InChIKey of (3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone?
The InChIKey is CVXDSSGUFFGVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-18-12-4-2-3-11(8-12)16(17)15-13-9-5-6-10(7-9)14(13)15/h2-4,8-10,13-15H,5-7H2,1H3.
What are the key properties of (3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone?
(3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone has a molecular weight of 242.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone is sourced from PubChem (CID 114097286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).