(2-chloro-6-pent-4-enoxyphenyl)methanol

C12H15ClO2 — CID 114320409

IUPAC(2-chloro-6-pent-4-enoxyphenyl)methanol
SMILESC=CCCCOc1cccc(Cl)c1CO
InChIInChI=1S/C12H15ClO2/c1-2-3-4-8-15-12-7-5-6-11(13)10(12)9-14/h2,5-7,14H,1,3-4,8-9H2
InChIKeyZPBBYSDCILQIAT-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.18
Rot. Bonds6

About (2-chloro-6-pent-4-enoxyphenyl)methanol

(2-chloro-6-pent-4-enoxyphenyl)methanol (PubChem CID 114320409) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is (2-chloro-6-pent-4-enoxyphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-6-pent-4-enoxyphenyl)methanol
PubChem CID114320409
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name(2-chloro-6-pent-4-enoxyphenyl)methanol
SMILESC=CCCCOc1cccc(Cl)c1CO
InChIInChI=1S/C12H15ClO2/c1-2-3-4-8-15-12-7-5-6-11(13)10(12)9-14/h2,5-7,14H,1,3-4,8-9H2
InChIKeyZPBBYSDCILQIAT-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol
CID 114525693
4-[3-chloro-2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114320455
[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methanol
CID 114320498
N-[(2-but-3-enoxy-6-chlorophenyl)methyl]propan-2-amine
CID 113276717
(2-hept-6-enoxyphenyl)methanol
CID 107007457
3-[3-chloro-2-(hydroxymethyl)phenoxy]propane-1,2-diol
CID 82850685
[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol
CID 114320427
2-bromo-1,3-bis(hex-5-enoxy)benzene
CID 10882709
[2,6-bis(hex-5-enoxy)phenyl]boronic acid
CID 10860096
[2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 114320497
1,3-bis(dec-9-enoxy)-2-phenylbenzene
CID 134837533
2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol
CID 78879031

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-pent-4-enoxyphenyl)methanol?
The IUPAC name of (2-chloro-6-pent-4-enoxyphenyl)methanol (CID 114320409) is (2-chloro-6-pent-4-enoxyphenyl)methanol.
What is the SMILES notation for (2-chloro-6-pent-4-enoxyphenyl)methanol?
The canonical SMILES for (2-chloro-6-pent-4-enoxyphenyl)methanol is C=CCCCOc1cccc(Cl)c1CO.
What is the InChIKey of (2-chloro-6-pent-4-enoxyphenyl)methanol?
The InChIKey is ZPBBYSDCILQIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-2-3-4-8-15-12-7-5-6-11(13)10(12)9-14/h2,5-7,14H,1,3-4,8-9H2.
What are the key properties of (2-chloro-6-pent-4-enoxyphenyl)methanol?
(2-chloro-6-pent-4-enoxyphenyl)methanol has a molecular weight of 226.70 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-pent-4-enoxyphenyl)methanol is sourced from PubChem (CID 114320409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).