2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol

C11H13ClO2 — CID 14869652

IUPAC2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol
SMILESCCC(O)/C(Cl)=C/c1ccccc1O
InChIInChI=1S/C11H13ClO2/c1-2-10(13)9(12)7-8-5-3-4-6-11(8)14/h3-7,10,13-14H,2H2,1H3/b9-7-
InChIKeyKBNVMUUCSZPBBO-CLFYSBASSA-N
MW212.68 g/mol
LogP2.74
Rot. Bonds3

About 2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol

2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol (PubChem CID 14869652) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol.

Molecular Properties

Compound Name2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol
PubChem CID14869652
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol
SMILESCCC(O)/C(Cl)=C/c1ccccc1O
InChIInChI=1S/C11H13ClO2/c1-2-10(13)9(12)7-8-5-3-4-6-11(8)14/h3-7,10,13-14H,2H2,1H3/b9-7-
InChIKeyKBNVMUUCSZPBBO-CLFYSBASSA-N
XLogP2.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(E)-4-aminohex-1-enyl]phenol
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2-ethenylphenol
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2-[3-(diaminomethyl)-4-(2-hydroxyphenyl)-2-methylbuta-1,3-dienyl]phenol
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CID 162316519
2-[(1Z,3Z)-hexa-1,3-dienyl]phenol
CID 89362238
3-(2-hydroxyphenyl)prop-2-ene-1,1-diol
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CID 155704691
CID 155704691
(Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol
CID 103091261
(2R,3S,4R,7E)-3-ethenyl-7-[(2-hydroxyphenyl)methylidene]decane-2,4-diol
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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol?
The IUPAC name of 2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol (CID 14869652) is 2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol.
What is the SMILES notation for 2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol?
The canonical SMILES for 2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol is CCC(O)/C(Cl)=C/c1ccccc1O.
What is the InChIKey of 2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol?
The InChIKey is KBNVMUUCSZPBBO-CLFYSBASSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-2-10(13)9(12)7-8-5-3-4-6-11(8)14/h3-7,10,13-14H,2H2,1H3/b9-7-.
What are the key properties of 2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol?
2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol has a molecular weight of 212.68 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol is sourced from PubChem (CID 14869652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).