(3E)-4-chloro-5-methoxyhexa-3,5-dien-2-ol

C7H11ClO2 — CID 167199503

IUPAC(3E)-4-chloro-5-methoxyhexa-3,5-dien-2-ol
SMILESC=C(OC)/C(Cl)=C\C(C)O
InChIInChI=1S/C7H11ClO2/c1-5(9)4-7(8)6(2)10-3/h4-5,9H,2H2,1,3H3/b7-4+
InChIKeyIROFTLLZVYFEQW-QPJJXVBHSA-N
MW162.62 g/mol
LogP1.65
Rot. Bonds3

About (3E)-4-chloro-5-methoxyhexa-3,5-dien-2-ol

(3E)-4-chloro-5-methoxyhexa-3,5-dien-2-ol (PubChem CID 167199503) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is (3E)-4-chloro-5-methoxyhexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E)-4-chloro-5-methoxyhexa-3,5-dien-2-ol
PubChem CID167199503
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Name(3E)-4-chloro-5-methoxyhexa-3,5-dien-2-ol
SMILESC=C(OC)/C(Cl)=C\C(C)O
InChIInChI=1S/C7H11ClO2/c1-5(9)4-7(8)6(2)10-3/h4-5,9H,2H2,1,3H3/b7-4+
InChIKeyIROFTLLZVYFEQW-QPJJXVBHSA-N
XLogP1.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 102247674
(2E,4E)-5-chloro-6-methoxyhepta-2,4,6-trien-3-amine
CID 143085247
4-methoxypent-3-en-2-ol
CID 71375431
1-chloro-1-methoxyethene
CID 20553412
(Z)-4-prop-1-en-2-yloxypent-3-en-2-ol
CID 118682636
methyl (Z)-2-(1-chloroethenyl)-4-methylpent-2-enoate
CID 16742719
2-[(3E)-4-chloro-5-methoxyhexa-1,3,5-trien-2-yl]-4-methyloxetane
CID 143230785
(1E,3E,4E)-3-ethylidene-5,6-dimethoxy-2-propan-2-ylhepta-1,4,6-trien-1-ol;2-methylpropane
CID 156877716
(2E,4E)-1,5,6-trimethoxyhepta-2,4,6-triene-3-sulfonyl chloride
CID 121314959
2-methoxyprop-2-enoic acid;nitric acid
CID 174788096
(3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine
CID 143245209
2-methoxy-N-propan-2-ylprop-2-enamide
CID 13399116

Frequently Asked Questions

What is the IUPAC name of (3E)-4-chloro-5-methoxyhexa-3,5-dien-2-ol?
The IUPAC name of (3E)-4-chloro-5-methoxyhexa-3,5-dien-2-ol (CID 167199503) is (3E)-4-chloro-5-methoxyhexa-3,5-dien-2-ol.
What is the SMILES notation for (3E)-4-chloro-5-methoxyhexa-3,5-dien-2-ol?
The canonical SMILES for (3E)-4-chloro-5-methoxyhexa-3,5-dien-2-ol is C=C(OC)/C(Cl)=C\C(C)O.
What is the InChIKey of (3E)-4-chloro-5-methoxyhexa-3,5-dien-2-ol?
The InChIKey is IROFTLLZVYFEQW-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H11ClO2/c1-5(9)4-7(8)6(2)10-3/h4-5,9H,2H2,1,3H3/b7-4+.
What are the key properties of (3E)-4-chloro-5-methoxyhexa-3,5-dien-2-ol?
(3E)-4-chloro-5-methoxyhexa-3,5-dien-2-ol has a molecular weight of 162.62 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-chloro-5-methoxyhexa-3,5-dien-2-ol is sourced from PubChem (CID 167199503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).