(Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol

C10H11BrO2 — CID 174340205

IUPAC(Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol
SMILESO/C(Br)=C/COCc1ccccc1
InChIInChI=1S/C10H11BrO2/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-6,12H,7-8H2/b10-6+
InChIKeyNGEIXQHLLGXRBF-UXBLZVDNSA-N
MW243.10 g/mol
LogP3.00
Rot. Bonds4

About (Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol

(Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol (PubChem CID 174340205) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is (Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol.

Molecular Properties

Compound Name(Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol
PubChem CID174340205
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name(Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol
SMILESO/C(Br)=C/COCc1ccccc1
InChIInChI=1S/C10H11BrO2/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-6,12H,7-8H2/b10-6+
InChIKeyNGEIXQHLLGXRBF-UXBLZVDNSA-N
XLogP3.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 11586810
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[(E)-3-methylpent-2-enoxy]methylbenzene
CID 12622244
(E)-2-chloro-4-phenylmethoxybut-2-enal
CID 25193959
(E)-3-iodo-5-phenylmethoxypent-3-enoic acid
CID 134967985
[(2Z,6Z)-8-bromo-3,7-dimethylocta-2,6-dienoxy]methylbenzene
CID 102293653
[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
(2E,6E)-2,6-dimethyl-8-phenylmethoxyocta-2,6-dienoic acid
CID 66896956
CID 66734377
CID 66734377
[(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene
CID 11572215
[(Z)-3-chloroprop-2-enoxy]methylbenzene
CID 131246507

Frequently Asked Questions

What is the IUPAC name of (Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol?
The IUPAC name of (Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol (CID 174340205) is (Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol.
What is the SMILES notation for (Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol?
The canonical SMILES for (Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol is O/C(Br)=C/COCc1ccccc1.
What is the InChIKey of (Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol?
The InChIKey is NGEIXQHLLGXRBF-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H11BrO2/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-6,12H,7-8H2/b10-6+.
What are the key properties of (Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol?
(Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol has a molecular weight of 243.10 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol is sourced from PubChem (CID 174340205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).