1-(3-bromophenyl)dodecan-1-ol

C18H29BrO — CID 10664927

IUPAC1-(3-bromophenyl)dodecan-1-ol
SMILESCCCCCCCCCCCC(O)c1cccc(Br)c1
InChIInChI=1S/C18H29BrO/c1-2-3-4-5-6-7-8-9-10-14-18(20)16-12-11-13-17(19)15-16/h11-13,15,18,20H,2-10,14H2,1H3
InChIKeyPJPCHYRPRBMBJV-UHFFFAOYSA-N
MW341.33 g/mol
LogP6.40
Rot. Bonds11

About 1-(3-bromophenyl)dodecan-1-ol

1-(3-bromophenyl)dodecan-1-ol (PubChem CID 10664927) has the molecular formula C18H29BrO and a molecular weight of 341.33 g/mol. Its IUPAC name is 1-(3-bromophenyl)dodecan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)dodecan-1-ol
PubChem CID10664927
Molecular FormulaC18H29BrO
Molecular Weight341.33 g/mol
Exact Mass340.14
IUPAC Name1-(3-bromophenyl)dodecan-1-ol
SMILESCCCCCCCCCCCC(O)c1cccc(Br)c1
InChIInChI=1S/C18H29BrO/c1-2-3-4-5-6-7-8-9-10-14-18(20)16-12-11-13-17(19)15-16/h11-13,15,18,20H,2-10,14H2,1H3
InChIKeyPJPCHYRPRBMBJV-UHFFFAOYSA-N
XLogP6.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.33
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)dodecan-1-ol?
The IUPAC name of 1-(3-bromophenyl)dodecan-1-ol (CID 10664927) is 1-(3-bromophenyl)dodecan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)dodecan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)dodecan-1-ol is CCCCCCCCCCCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)dodecan-1-ol?
The InChIKey is PJPCHYRPRBMBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrO/c1-2-3-4-5-6-7-8-9-10-14-18(20)16-12-11-13-17(19)15-16/h11-13,15,18,20H,2-10,14H2,1H3.
What are the key properties of 1-(3-bromophenyl)dodecan-1-ol?
1-(3-bromophenyl)dodecan-1-ol has a molecular weight of 341.33 g/mol, XLogP of 6.40, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)dodecan-1-ol is sourced from PubChem (CID 10664927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).