4-methoxy-2-[(4-methoxyphenyl)methyl]phenol;(4-methoxyphenyl)-(5-methoxy-2-phenylmethoxyphenyl)methanol

C37H38O7 — CID 159306157

IUPAC4-methoxy-2-[(4-methoxyphenyl)methyl]phenol;(4-methoxyphenyl)-(5-methoxy-2-phenylmethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(OC)ccc2OCc2ccccc2)cc1.COc1ccc(Cc2cc(OC)ccc2O)cc1
InChIInChI=1S/C22H22O4.C15H16O3/c1-24-18-10-8-17(9-11-18)22(23)20-14-19(25-2)12-13-21(20)26-15-16-6-4-3-5-7-16;1-17-13-5-3-11(4-6-13)9-12-10-14(18-2)7-8-15(12)16/h3-14,22-23H,15H2,1-2H3;3-8,10,16H,9H2,1-2H3
InChIKeyLBYFGZWIKLUMJZ-UHFFFAOYSA-N
MW594.70 g/mol
LogP7.36
Rot. Bonds11

About 4-methoxy-2-[(4-methoxyphenyl)methyl]phenol;(4-methoxyphenyl)-(5-methoxy-2-phenylmethoxyphenyl)methanol

4-methoxy-2-[(4-methoxyphenyl)methyl]phenol;(4-methoxyphenyl)-(5-methoxy-2-phenylmethoxyphenyl)methanol (PubChem CID 159306157) has the molecular formula C37H38O7 and a molecular weight of 594.70 g/mol. Its IUPAC name is 4-methoxy-2-[(4-methoxyphenyl)methyl]phenol;(4-methoxyphenyl)-(5-methoxy-2-phenylmethoxyphenyl)methanol.

Molecular Properties

Compound Name4-methoxy-2-[(4-methoxyphenyl)methyl]phenol;(4-methoxyphenyl)-(5-methoxy-2-phenylmethoxyphenyl)methanol
PubChem CID159306157
Molecular FormulaC37H38O7
Molecular Weight594.70 g/mol
Exact Mass594.26
IUPAC Name4-methoxy-2-[(4-methoxyphenyl)methyl]phenol;(4-methoxyphenyl)-(5-methoxy-2-phenylmethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(OC)ccc2OCc2ccccc2)cc1.COc1ccc(Cc2cc(OC)ccc2O)cc1
InChIInChI=1S/C22H22O4.C15H16O3/c1-24-18-10-8-17(9-11-18)22(23)20-14-19(25-2)12-13-21(20)26-15-16-6-4-3-5-7-16;1-17-13-5-3-11(4-6-13)9-12-10-14(18-2)7-8-15(12)16/h3-14,22-23H,15H2,1-2H3;3-8,10,16H,9H2,1-2H3
InChIKeyLBYFGZWIKLUMJZ-UHFFFAOYSA-N
XLogP7.36
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.70
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(4-methoxyphenyl)methyl]phenol;(4-methoxyphenyl)-(5-methoxy-2-phenylmethoxyphenyl)methanol?
The IUPAC name of 4-methoxy-2-[(4-methoxyphenyl)methyl]phenol;(4-methoxyphenyl)-(5-methoxy-2-phenylmethoxyphenyl)methanol (CID 159306157) is 4-methoxy-2-[(4-methoxyphenyl)methyl]phenol;(4-methoxyphenyl)-(5-methoxy-2-phenylmethoxyphenyl)methanol.
What is the SMILES notation for 4-methoxy-2-[(4-methoxyphenyl)methyl]phenol;(4-methoxyphenyl)-(5-methoxy-2-phenylmethoxyphenyl)methanol?
The canonical SMILES for 4-methoxy-2-[(4-methoxyphenyl)methyl]phenol;(4-methoxyphenyl)-(5-methoxy-2-phenylmethoxyphenyl)methanol is COc1ccc(C(O)c2cc(OC)ccc2OCc2ccccc2)cc1.COc1ccc(Cc2cc(OC)ccc2O)cc1.
What is the InChIKey of 4-methoxy-2-[(4-methoxyphenyl)methyl]phenol;(4-methoxyphenyl)-(5-methoxy-2-phenylmethoxyphenyl)methanol?
The InChIKey is LBYFGZWIKLUMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4.C15H16O3/c1-24-18-10-8-17(9-11-18)22(23)20-14-19(25-2)12-13-21(20)26-15-16-6-4-3-5-7-16;1-17-13-5-3-11(4-6-13)9-12-10-14(18-2)7-8-15(12)16/h3-14,22-23H,15H2,1-2H3;3-8,10,16H,9H2,1-2H3.
What are the key properties of 4-methoxy-2-[(4-methoxyphenyl)methyl]phenol;(4-methoxyphenyl)-(5-methoxy-2-phenylmethoxyphenyl)methanol?
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol;(4-methoxyphenyl)-(5-methoxy-2-phenylmethoxyphenyl)methanol has a molecular weight of 594.70 g/mol, XLogP of 7.36, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(4-methoxyphenyl)methyl]phenol;(4-methoxyphenyl)-(5-methoxy-2-phenylmethoxyphenyl)methanol is sourced from PubChem (CID 159306157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).