4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol

C16H15ClO4 — CID 57425044

IUPAC4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol
SMILESOc1cc(OCc2ccccc2)c(Cl)cc1C1OCCO1
InChIInChI=1S/C16H15ClO4/c17-13-8-12(16-19-6-7-20-16)14(18)9-15(13)21-10-11-4-2-1-3-5-11/h1-5,8-9,16,18H,6-7,10H2
InChIKeyQRKNQUYQGIZZNQ-UHFFFAOYSA-N
MW306.74 g/mol
LogP3.67
Rot. Bonds4

About 4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol

4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol (PubChem CID 57425044) has the molecular formula C16H15ClO4 and a molecular weight of 306.74 g/mol. Its IUPAC name is 4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol.

Molecular Properties

Compound Name4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol
PubChem CID57425044
Molecular FormulaC16H15ClO4
Molecular Weight306.74 g/mol
Exact Mass306.07
IUPAC Name4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol
SMILESOc1cc(OCc2ccccc2)c(Cl)cc1C1OCCO1
InChIInChI=1S/C16H15ClO4/c17-13-8-12(16-19-6-7-20-16)14(18)9-15(13)21-10-11-4-2-1-3-5-11/h1-5,8-9,16,18H,6-7,10H2
InChIKeyQRKNQUYQGIZZNQ-UHFFFAOYSA-N
XLogP3.67
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]-1,3-dioxolane
CID 70338619
(4-chloro-3-phenylmethoxyphenyl)methanol
CID 66724752
4-(oxiran-2-ylmethyl)-2-phenylmethoxyphenol
CID 57057624
(2,4-dichloro-5-phenylmethoxyphenyl)methanol
CID 57425039
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane
CID 164893025
2-chloro-5-(2-phenylmethoxyphenyl)phenol
CID 53221551
(3-chloro-4-fluoro-5-phenylmethoxyphenyl)methanol
CID 164895501
(3R,4S,6S)-2-[4-chloro-5-(1,3-dioxolan-2-yl)-2-phenylmethoxyphenyl]-5-methylidene-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 153362038
2-(2-bromo-5-methoxy-3-phenylmethoxyphenyl)-1,3-dioxane
CID 15127298
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol?
The IUPAC name of 4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol (CID 57425044) is 4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol.
What is the SMILES notation for 4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol?
The canonical SMILES for 4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol is Oc1cc(OCc2ccccc2)c(Cl)cc1C1OCCO1.
What is the InChIKey of 4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol?
The InChIKey is QRKNQUYQGIZZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c17-13-8-12(16-19-6-7-20-16)14(18)9-15(13)21-10-11-4-2-1-3-5-11/h1-5,8-9,16,18H,6-7,10H2.
What are the key properties of 4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol?
4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol has a molecular weight of 306.74 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol is sourced from PubChem (CID 57425044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).