4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol

C19H24O4 — CID 82185820

IUPAC4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol
SMILESCOc1cccc(CCC(O)CO)c1OCc1cccc(C)c1
InChIInChI=1S/C19H24O4/c1-14-5-3-6-15(11-14)13-23-19-16(9-10-17(21)12-20)7-4-8-18(19)22-2/h3-8,11,17,20-21H,9-10,12-13H2,1-2H3
InChIKeyGDQCGYZNBJFHQL-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.87
Rot. Bonds8

About 4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol

4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol (PubChem CID 82185820) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol.

Molecular Properties

Compound Name4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol
PubChem CID82185820
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol
SMILESCOc1cccc(CCC(O)CO)c1OCc1cccc(C)c1
InChIInChI=1S/C19H24O4/c1-14-5-3-6-15(11-14)13-23-19-16(9-10-17(21)12-20)7-4-8-18(19)22-2/h3-8,11,17,20-21H,9-10,12-13H2,1-2H3
InChIKeyGDQCGYZNBJFHQL-UHFFFAOYSA-N
XLogP2.87
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51988439
1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
CID 60906569
2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid
CID 66527797
4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine
CID 170870431
N-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]butan-1-amine
CID 39455732
1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol
CID 110534393
3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 170867827
5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene
CID 43516816
1-(bromomethyl)-3-ethoxy-2-[(3-methylphenyl)methoxy]benzene
CID 43174682
[3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 62550020
2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 112615255
2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 61482172

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol?
The IUPAC name of 4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol (CID 82185820) is 4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol.
What is the SMILES notation for 4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol?
The canonical SMILES for 4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol is COc1cccc(CCC(O)CO)c1OCc1cccc(C)c1.
What is the InChIKey of 4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol?
The InChIKey is GDQCGYZNBJFHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-14-5-3-6-15(11-14)13-23-19-16(9-10-17(21)12-20)7-4-8-18(19)22-2/h3-8,11,17,20-21H,9-10,12-13H2,1-2H3.
What are the key properties of 4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol?
4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol has a molecular weight of 316.40 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol is sourced from PubChem (CID 82185820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).