1-(2-bromo-4-methoxyphenyl)heptan-1-ol

C14H21BrO2 — CID 114753404

IUPAC1-(2-bromo-4-methoxyphenyl)heptan-1-ol
SMILESCCCCCCC(O)c1ccc(OC)cc1Br
InChIInChI=1S/C14H21BrO2/c1-3-4-5-6-7-14(16)12-9-8-11(17-2)10-13(12)15/h8-10,14,16H,3-7H2,1-2H3
InChIKeyLMMINJAAYWULDF-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.46
Rot. Bonds7

About 1-(2-bromo-4-methoxyphenyl)heptan-1-ol

1-(2-bromo-4-methoxyphenyl)heptan-1-ol (PubChem CID 114753404) has the molecular formula C14H21BrO2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)heptan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)heptan-1-ol
PubChem CID114753404
Molecular FormulaC14H21BrO2
Molecular Weight301.22 g/mol
Exact Mass300.07
IUPAC Name1-(2-bromo-4-methoxyphenyl)heptan-1-ol
SMILESCCCCCCC(O)c1ccc(OC)cc1Br
InChIInChI=1S/C14H21BrO2/c1-3-4-5-6-7-14(16)12-9-8-11(17-2)10-13(12)15/h8-10,14,16H,3-7H2,1-2H3
InChIKeyLMMINJAAYWULDF-UHFFFAOYSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4-methoxyphenyl)octan-1-ol
CID 55199625
1-(2-bromo-5-methoxyphenyl)nonan-1-ol
CID 105085691
1-(4-methoxy-2-methylphenyl)octan-1-ol
CID 61101302
2-bromo-1-(1-bromononyl)-4-methoxybenzene
CID 65426591
1-(2-chloro-4-methoxyphenyl)decan-1-ol
CID 65427527
1-(2-bromo-4-fluorophenyl)hexan-1-ol
CID 115784379
1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine
CID 105124484
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
3-(2-bromo-4-methoxyphenyl)-3-hydroxypropanenitrile
CID 130534305
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol
CID 65433754
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)heptan-1-ol?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)heptan-1-ol (CID 114753404) is 1-(2-bromo-4-methoxyphenyl)heptan-1-ol.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)heptan-1-ol?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)heptan-1-ol is CCCCCCC(O)c1ccc(OC)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)heptan-1-ol?
The InChIKey is LMMINJAAYWULDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO2/c1-3-4-5-6-7-14(16)12-9-8-11(17-2)10-13(12)15/h8-10,14,16H,3-7H2,1-2H3.
What are the key properties of 1-(2-bromo-4-methoxyphenyl)heptan-1-ol?
1-(2-bromo-4-methoxyphenyl)heptan-1-ol has a molecular weight of 301.22 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxyphenyl)heptan-1-ol is sourced from PubChem (CID 114753404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).