(1R)-1-(4-bromophenyl)hexan-1-ol

C12H17BrO — CID 57438971

IUPAC(1R)-1-(4-bromophenyl)hexan-1-ol
SMILESCCCCC[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,12,14H,2-5H2,1H3/t12-/m1/s1
InChIKeyHKDUDKMREMRFAZ-GFCCVEGCSA-N
MW257.17 g/mol
LogP4.06
Rot. Bonds5

About (1R)-1-(4-bromophenyl)hexan-1-ol

(1R)-1-(4-bromophenyl)hexan-1-ol (PubChem CID 57438971) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)hexan-1-ol.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)hexan-1-ol
PubChem CID57438971
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name(1R)-1-(4-bromophenyl)hexan-1-ol
SMILESCCCCC[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,12,14H,2-5H2,1H3/t12-/m1/s1
InChIKeyHKDUDKMREMRFAZ-GFCCVEGCSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 54.06
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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Related Compounds

(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
(1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one
CID 159543054
4-(1-hydroxytridecyl)phenol
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(1R)-1-(4-chlorophenyl)heptan-1-ol
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(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
(1R)-1-phenyloctan-1-ol
CID 12794259
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
(1S)-1-(4-methoxyphenyl)nonan-1-ol
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1-bromo-4-(1-bromodecan-2-yl)benzene
CID 79434996

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)hexan-1-ol?
The IUPAC name of (1R)-1-(4-bromophenyl)hexan-1-ol (CID 57438971) is (1R)-1-(4-bromophenyl)hexan-1-ol.
What is the SMILES notation for (1R)-1-(4-bromophenyl)hexan-1-ol?
The canonical SMILES for (1R)-1-(4-bromophenyl)hexan-1-ol is CCCCC[C@@H](O)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)hexan-1-ol?
The InChIKey is HKDUDKMREMRFAZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17BrO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,12,14H,2-5H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)hexan-1-ol?
(1R)-1-(4-bromophenyl)hexan-1-ol has a molecular weight of 257.17 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)hexan-1-ol is sourced from PubChem (CID 57438971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).