(Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol

C14H19BrO2 — CID 103091202

IUPAC(Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol
SMILESCCCOc1ccc(Br)cc1/C=C(/C)C(C)O
InChIInChI=1S/C14H19BrO2/c1-4-7-17-14-6-5-13(15)9-12(14)8-10(2)11(3)16/h5-6,8-9,11,16H,4,7H2,1-3H3/b10-8-
InChIKeyFFYUJFVWPJKMBD-NTMALXAHSA-N
MW299.21 g/mol
LogP4.02
Rot. Bonds5

About (Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol

(Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol (PubChem CID 103091202) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is (Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol
PubChem CID103091202
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name(Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol
SMILESCCCOc1ccc(Br)cc1/C=C(/C)C(C)O
InChIInChI=1S/C14H19BrO2/c1-4-7-17-14-6-5-13(15)9-12(14)8-10(2)11(3)16/h5-6,8-9,11,16H,4,7H2,1-3H3/b10-8-
InChIKeyFFYUJFVWPJKMBD-NTMALXAHSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 103093379
2-[(5-bromo-2-propoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79341999
(E)-4-(5-bromo-2-propoxyphenyl)but-3-en-2-amine
CID 103091541
3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol
CID 79334203
2-[(5-bromo-2-propoxyphenyl)methylidene]-N-tert-butylbutan-1-amine
CID 79329522
3-(5-bromo-2-propoxyphenyl)prop-2-enal
CID 79330486
2-[(5-bromo-2-propoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341715
(E)-3-(5-bromo-2-ethoxyphenyl)-2-methylprop-2-enoic acid
CID 170872964
(E)-3-(5-bromo-2-propoxyphenyl)prop-2-enenitrile
CID 55206726
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene
CID 83934016
(Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092906

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol?
The IUPAC name of (Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol (CID 103091202) is (Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol.
What is the SMILES notation for (Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol?
The canonical SMILES for (Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol is CCCOc1ccc(Br)cc1/C=C(/C)C(C)O.
What is the InChIKey of (Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol?
The InChIKey is FFYUJFVWPJKMBD-NTMALXAHSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-4-7-17-14-6-5-13(15)9-12(14)8-10(2)11(3)16/h5-6,8-9,11,16H,4,7H2,1-3H3/b10-8-.
What are the key properties of (Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol?
(Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol has a molecular weight of 299.21 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol is sourced from PubChem (CID 103091202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).