(2-hydroxyphenyl)-[(1S,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone

C18H16O2 — CID 122202298

IUPAC(2-hydroxyphenyl)-[(1S,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone
SMILESO=C(c1ccccc1O)[C@@H]1C[C@@H]2C[C@H]1c1ccccc12
InChIInChI=1S/C18H16O2/c19-17-8-4-3-7-14(17)18(20)16-10-11-9-15(16)13-6-2-1-5-12(11)13/h1-8,11,15-16,19H,9-10H2/t11-,15-,16+/m0/s1
InChIKeyPNSGLKJWOOFREM-KNXALSJPSA-N
MW264.32 g/mol
LogP3.87
Rot. Bonds2

About (2-hydroxyphenyl)-[(1S,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone

(2-hydroxyphenyl)-[(1S,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone (PubChem CID 122202298) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[(1S,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[(1S,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone
PubChem CID122202298
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(2-hydroxyphenyl)-[(1S,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone
SMILESO=C(c1ccccc1O)[C@@H]1C[C@@H]2C[C@H]1c1ccccc12
InChIInChI=1S/C18H16O2/c19-17-8-4-3-7-14(17)18(20)16-10-11-9-15(16)13-6-2-1-5-12(11)13/h1-8,11,15-16,19H,9-10H2/t11-,15-,16+/m0/s1
InChIKeyPNSGLKJWOOFREM-KNXALSJPSA-N
XLogP3.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(2-hydroxyphenyl)methanone
CID 14638095
ethyl (E)-3-[(1S,8S,9S)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]but-2-enoate
CID 72711564
(2-hydroxyphenyl)-(oxiran-2-yl)methanone
CID 10820908
(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 140882379
N'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-2-hydroxybenzohydrazide
CID 134009752
methyl 2-[(3R,4S)-3,4-dihydroxycyclopentyl]benzoate
CID 68811032
2-cyclopropylbenzoyl chloride
CID 118024624
2-(3,5-diaminocyclohexyl)benzamide
CID 68506787
2-hydroxybenzoic acid;hypochlorous acid
CID 68579561
2-(3-fluorocyclobutyl)phenol
CID 115013138
(2-hydroxyphenyl)-pyrrolidin-3-ylmethanone
CID 90905389
2-(2-fluorocyclopropyl)benzoic acid
CID 115015568

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[(1S,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[(1S,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone (CID 122202298) is (2-hydroxyphenyl)-[(1S,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[(1S,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[(1S,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone is O=C(c1ccccc1O)[C@@H]1C[C@@H]2C[C@H]1c1ccccc12.
What is the InChIKey of (2-hydroxyphenyl)-[(1S,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone?
The InChIKey is PNSGLKJWOOFREM-KNXALSJPSA-N. The full InChI is InChI=1S/C18H16O2/c19-17-8-4-3-7-14(17)18(20)16-10-11-9-15(16)13-6-2-1-5-12(11)13/h1-8,11,15-16,19H,9-10H2/t11-,15-,16+/m0/s1.
What are the key properties of (2-hydroxyphenyl)-[(1S,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone?
(2-hydroxyphenyl)-[(1S,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone has a molecular weight of 264.32 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[(1S,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone is sourced from PubChem (CID 122202298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).