[3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol

C17H18O4 — CID 54520451

IUPAC[3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cccc(C3OCCO3)c2)cc1
InChIInChI=1S/C17H18O4/c1-19-15-7-5-12(6-8-15)16(18)13-3-2-4-14(11-13)17-20-9-10-21-17/h2-8,11,16-18H,9-10H2,1H3
InChIKeyYPKYNTJMEHXTPI-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.82
Rot. Bonds4

About [3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol

[3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol (PubChem CID 54520451) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is [3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol
PubChem CID54520451
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name[3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cccc(C3OCCO3)c2)cc1
InChIInChI=1S/C17H18O4/c1-19-15-7-5-12(6-8-15)16(18)13-3-2-4-14(11-13)17-20-9-10-21-17/h2-8,11,16-18H,9-10H2,1H3
InChIKeyYPKYNTJMEHXTPI-UHFFFAOYSA-N
XLogP2.82
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclobutylphenyl)-(4-methoxyphenyl)methanol
CID 114601153
2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994
(S)-(3-bromophenyl)-(4-methoxyphenyl)methanol
CID 93325981
(S)-(3-fluorophenyl)-(4-methoxyphenyl)methanol
CID 7154378
(4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol
CID 91927376
(3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 79973193
(R)-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-pyridin-3-ylmethanol
CID 129362423
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
(4-methoxyphenyl)-(3-propylphenyl)methanol
CID 116542361
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
4-[3-(1,3-dioxolan-2-yl)phenyl]-3,4-dihydroxybutanenitrile
CID 171901698

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol?
The IUPAC name of [3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol (CID 54520451) is [3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for [3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol?
The canonical SMILES for [3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol is COc1ccc(C(O)c2cccc(C3OCCO3)c2)cc1.
What is the InChIKey of [3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol?
The InChIKey is YPKYNTJMEHXTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-15-7-5-12(6-8-15)16(18)13-3-2-4-14(11-13)17-20-9-10-21-17/h2-8,11,16-18H,9-10H2,1H3.
What are the key properties of [3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol?
[3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol has a molecular weight of 286.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 54520451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).