bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol

C11H10O — CID 12859387

IUPACbicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol
SMILESOC1=CC=CC2=CC=CC=C1C2
InChIInChI=1S/C11H10O/c12-11-7-3-5-9-4-1-2-6-10(11)8-9/h1-7,12H,8H2
InChIKeySKLJQAQDJGLTHB-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.81
Rot. Bonds

About bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol

bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol (PubChem CID 12859387) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol.

Molecular Properties

Compound Namebicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol
PubChem CID12859387
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Namebicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol
SMILESOC1=CC=CC2=CC=CC=C1C2
InChIInChI=1S/C11H10O/c12-11-7-3-5-9-4-1-2-6-10(11)8-9/h1-7,12H,8H2
InChIKeySKLJQAQDJGLTHB-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bicyclo[3.3.1]nona-1,3,5,7-tetraene
CID 141161601
bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2-carbonitrile
CID 12840769
3-methyl-2-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-10-ol
CID 143770466
(2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
CID 23247675
bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
CID 71437852
bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one
CID 2751995
4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one
CID 142722776
tricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene
CID 143781348
hexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 101378249
2-[(2Z,5Z)-4-bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaenylidene]propanedinitrile
CID 102090566
(NE)-N-[(2Z,5Z,7Z,13Z,15Z,17E,18Z)-17-hydroxyimino-8,13-dimethyl-4-bicyclo[18.4.1]pentacosa-1(24),2,5,7,13,15,18,20,22-nonaen-9,11-diynylidene]hydroxylamine
CID 135704440
dimethyl (1E,2E,4E,6E,8Z,10Z)-bicyclo[5.5.1]trideca-1(12),2,4,6,8,10-hexaene-3,4-dicarboxylate
CID 12956141

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol?
The IUPAC name of bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol (CID 12859387) is bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol.
What is the SMILES notation for bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol?
The canonical SMILES for bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol is OC1=CC=CC2=CC=CC=C1C2.
What is the InChIKey of bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol?
The InChIKey is SKLJQAQDJGLTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c12-11-7-3-5-9-4-1-2-6-10(11)8-9/h1-7,12H,8H2.
What are the key properties of bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol?
bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol has a molecular weight of 158.20 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol is sourced from PubChem (CID 12859387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).