(Z)-1-(3-bromophenyl)oct-1-en-3-ol

C14H19BrO — CID 155290532

IUPAC(Z)-1-(3-bromophenyl)oct-1-en-3-ol
SMILESCCCCCC(O)/C=C\c1cccc(Br)c1
InChIInChI=1S/C14H19BrO/c1-2-3-4-8-14(16)10-9-12-6-5-7-13(15)11-12/h5-7,9-11,14,16H,2-4,8H2,1H3/b10-9-
InChIKeyJTIWUHMOXXSUAK-KTKRTIGZSA-N
MW283.21 g/mol
LogP4.40
Rot. Bonds6

About (Z)-1-(3-bromophenyl)oct-1-en-3-ol

(Z)-1-(3-bromophenyl)oct-1-en-3-ol (PubChem CID 155290532) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is (Z)-1-(3-bromophenyl)oct-1-en-3-ol.

Molecular Properties

Compound Name(Z)-1-(3-bromophenyl)oct-1-en-3-ol
PubChem CID155290532
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name(Z)-1-(3-bromophenyl)oct-1-en-3-ol
SMILESCCCCCC(O)/C=C\c1cccc(Br)c1
InChIInChI=1S/C14H19BrO/c1-2-3-4-8-14(16)10-9-12-6-5-7-13(15)11-12/h5-7,9-11,14,16H,2-4,8H2,1H3/b10-9-
InChIKeyJTIWUHMOXXSUAK-KTKRTIGZSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.40
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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Related Compounds

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CID 67718097
CID 67718097
(E)-1-[3,4-bis(phenylmethoxy)phenyl]non-1-en-3-ol
CID 13392879
1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
1-(3-bromophenyl)octan-2-ol
CID 63411241
1-bromo-3-[(E)-but-1-enyl]benzene
CID 22159609
1-(6-methyl-2-pyridinyl)undec-1-en-3-ol
CID 71344919
1-bromo-3-(1-bromoheptan-2-yl)benzene
CID 79433772
6-[4-(3-hydroxyoct-1-enyl)phenyl]hex-5-enoic acid
CID 74011646
[4-[2-[3-(6-hydroxydeca-2,4-dien-2-yl)phenyl]ethenyl]phenyl]methanediol
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CID 43630920

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-bromophenyl)oct-1-en-3-ol?
The IUPAC name of (Z)-1-(3-bromophenyl)oct-1-en-3-ol (CID 155290532) is (Z)-1-(3-bromophenyl)oct-1-en-3-ol.
What is the SMILES notation for (Z)-1-(3-bromophenyl)oct-1-en-3-ol?
The canonical SMILES for (Z)-1-(3-bromophenyl)oct-1-en-3-ol is CCCCCC(O)/C=C\c1cccc(Br)c1.
What is the InChIKey of (Z)-1-(3-bromophenyl)oct-1-en-3-ol?
The InChIKey is JTIWUHMOXXSUAK-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H19BrO/c1-2-3-4-8-14(16)10-9-12-6-5-7-13(15)11-12/h5-7,9-11,14,16H,2-4,8H2,1H3/b10-9-.
What are the key properties of (Z)-1-(3-bromophenyl)oct-1-en-3-ol?
(Z)-1-(3-bromophenyl)oct-1-en-3-ol has a molecular weight of 283.21 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-bromophenyl)oct-1-en-3-ol is sourced from PubChem (CID 155290532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).