1-[2-(3-bromophenyl)ethyl]tricyclo[5.3.1.03,9]undecan-7-ol

C19H25BrO — CID 70930142

IUPAC1-[2-(3-bromophenyl)ethyl]tricyclo[5.3.1.03,9]undecan-7-ol
SMILESOC12CCCC3CC(CCc4cccc(Br)c4)(CC3C1)C2
InChIInChI=1S/C19H25BrO/c20-17-5-1-3-14(9-17)6-8-18-10-15-4-2-7-19(21,13-18)12-16(15)11-18/h1,3,5,9,15-16,21H,2,4,6-8,10-13H2
InChIKeyQMLJTLGFPGQKRQ-UHFFFAOYSA-N
MW349.31 g/mol
LogP5.10
Rot. Bonds3

About 1-[2-(3-bromophenyl)ethyl]tricyclo[5.3.1.03,9]undecan-7-ol

1-[2-(3-bromophenyl)ethyl]tricyclo[5.3.1.03,9]undecan-7-ol (PubChem CID 70930142) has the molecular formula C19H25BrO and a molecular weight of 349.31 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)ethyl]tricyclo[5.3.1.03,9]undecan-7-ol.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)ethyl]tricyclo[5.3.1.03,9]undecan-7-ol
PubChem CID70930142
Molecular FormulaC19H25BrO
Molecular Weight349.31 g/mol
Exact Mass348.11
IUPAC Name1-[2-(3-bromophenyl)ethyl]tricyclo[5.3.1.03,9]undecan-7-ol
SMILESOC12CCCC3CC(CCc4cccc(Br)c4)(CC3C1)C2
InChIInChI=1S/C19H25BrO/c20-17-5-1-3-14(9-17)6-8-18-10-15-4-2-7-19(21,13-18)12-16(15)11-18/h1,3,5,9,15-16,21H,2,4,6-8,10-13H2
InChIKeyQMLJTLGFPGQKRQ-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.31
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 115073744
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CID 84702390
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CID 67395688
6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331771
3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
CID 62526163
1-[(3-bromophenyl)methyl]cycloheptan-1-ol
CID 60797544
3-(3-bromophenyl)propanoyl chloride
CID 12607235
2-(3-bromophenyl)ethanol
CID 2734090
N-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine
CID 114223764
1-[(3-bromophenyl)methyl]-4-tert-butylcycloheptan-1-ol
CID 65094519
1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene
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4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol
CID 147053018

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)ethyl]tricyclo[5.3.1.03,9]undecan-7-ol?
The IUPAC name of 1-[2-(3-bromophenyl)ethyl]tricyclo[5.3.1.03,9]undecan-7-ol (CID 70930142) is 1-[2-(3-bromophenyl)ethyl]tricyclo[5.3.1.03,9]undecan-7-ol.
What is the SMILES notation for 1-[2-(3-bromophenyl)ethyl]tricyclo[5.3.1.03,9]undecan-7-ol?
The canonical SMILES for 1-[2-(3-bromophenyl)ethyl]tricyclo[5.3.1.03,9]undecan-7-ol is OC12CCCC3CC(CCc4cccc(Br)c4)(CC3C1)C2.
What is the InChIKey of 1-[2-(3-bromophenyl)ethyl]tricyclo[5.3.1.03,9]undecan-7-ol?
The InChIKey is QMLJTLGFPGQKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrO/c20-17-5-1-3-14(9-17)6-8-18-10-15-4-2-7-19(21,13-18)12-16(15)11-18/h1,3,5,9,15-16,21H,2,4,6-8,10-13H2.
What are the key properties of 1-[2-(3-bromophenyl)ethyl]tricyclo[5.3.1.03,9]undecan-7-ol?
1-[2-(3-bromophenyl)ethyl]tricyclo[5.3.1.03,9]undecan-7-ol has a molecular weight of 349.31 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)ethyl]tricyclo[5.3.1.03,9]undecan-7-ol is sourced from PubChem (CID 70930142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).