1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol

C12H15ClO4 — CID 103547438

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol
SMILESCOc1ccc(Cl)cc1C(O)CC1OCCO1
InChIInChI=1S/C12H15ClO4/c1-15-11-3-2-8(13)6-9(11)10(14)7-12-16-4-5-17-12/h2-3,6,10,12,14H,4-5,7H2,1H3
InChIKeyFNFFXYUJEZUOFH-UHFFFAOYSA-N
MW258.70 g/mol
LogP2.14
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol

1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol (PubChem CID 103547438) has the molecular formula C12H15ClO4 and a molecular weight of 258.70 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol
PubChem CID103547438
Molecular FormulaC12H15ClO4
Molecular Weight258.70 g/mol
Exact Mass258.07
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol
SMILESCOc1ccc(Cl)cc1C(O)CC1OCCO1
InChIInChI=1S/C12H15ClO4/c1-15-11-3-2-8(13)6-9(11)10(14)7-12-16-4-5-17-12/h2-3,6,10,12,14H,4-5,7H2,1H3
InChIKeyFNFFXYUJEZUOFH-UHFFFAOYSA-N
XLogP2.14
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 65141873
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
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CID 115802739
(5-chloro-2-methoxyphenyl)-(2-methylcyclopropyl)methanol
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1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol
CID 131075373
[1-(5-chloro-2-methoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267580

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol (CID 103547438) is 1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol is COc1ccc(Cl)cc1C(O)CC1OCCO1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol?
The InChIKey is FNFFXYUJEZUOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO4/c1-15-11-3-2-8(13)6-9(11)10(14)7-12-16-4-5-17-12/h2-3,6,10,12,14H,4-5,7H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol?
1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol has a molecular weight of 258.70 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol is sourced from PubChem (CID 103547438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).