(3-methoxy-4-phenylmethoxyphenyl)-(3-phenylmethoxy-2H-pyran-2-yl)methanol

C27H26O5 — CID 140976761

IUPAC(3-methoxy-4-phenylmethoxyphenyl)-(3-phenylmethoxy-2H-pyran-2-yl)methanol
SMILESCOc1cc(C(O)C2OC=CC=C2OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C27H26O5/c1-29-25-17-22(14-15-23(25)31-18-20-9-4-2-5-10-20)26(28)27-24(13-8-16-30-27)32-19-21-11-6-3-7-12-21/h2-17,26-28H,18-19H2,1H3
InChIKeySDMNQNGUGYVADQ-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.32
Rot. Bonds9

About (3-methoxy-4-phenylmethoxyphenyl)-(3-phenylmethoxy-2H-pyran-2-yl)methanol

(3-methoxy-4-phenylmethoxyphenyl)-(3-phenylmethoxy-2H-pyran-2-yl)methanol (PubChem CID 140976761) has the molecular formula C27H26O5 and a molecular weight of 430.50 g/mol. Its IUPAC name is (3-methoxy-4-phenylmethoxyphenyl)-(3-phenylmethoxy-2H-pyran-2-yl)methanol.

Molecular Properties

Compound Name(3-methoxy-4-phenylmethoxyphenyl)-(3-phenylmethoxy-2H-pyran-2-yl)methanol
PubChem CID140976761
Molecular FormulaC27H26O5
Molecular Weight430.50 g/mol
Exact Mass430.18
IUPAC Name(3-methoxy-4-phenylmethoxyphenyl)-(3-phenylmethoxy-2H-pyran-2-yl)methanol
SMILESCOc1cc(C(O)C2OC=CC=C2OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C27H26O5/c1-29-25-17-22(14-15-23(25)31-18-20-9-4-2-5-10-20)26(28)27-24(13-8-16-30-27)32-19-21-11-6-3-7-12-21/h2-17,26-28H,18-19H2,1H3
InChIKeySDMNQNGUGYVADQ-UHFFFAOYSA-N
XLogP5.32
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
1-(3-methoxy-4-phenylmethoxyphenyl)prop-2-yn-1-ol
CID 15888378
(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol
CID 129384165
(4S)-4-[(R)-hydroxy-(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylideneoxolan-2-one
CID 162399327
3-amino-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,2-diol
CID 170829202
(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171244475
(3S,4R)-3-hydroxy-4-[(S)-hydroxy-(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxolan-2-one
CID 10769382
1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol
CID 83951248
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine
CID 171234157
(S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine
CID 171234171
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol
CID 171264853
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-phenylmethoxyphenyl)-(3-phenylmethoxy-2H-pyran-2-yl)methanol?
The IUPAC name of (3-methoxy-4-phenylmethoxyphenyl)-(3-phenylmethoxy-2H-pyran-2-yl)methanol (CID 140976761) is (3-methoxy-4-phenylmethoxyphenyl)-(3-phenylmethoxy-2H-pyran-2-yl)methanol.
What is the SMILES notation for (3-methoxy-4-phenylmethoxyphenyl)-(3-phenylmethoxy-2H-pyran-2-yl)methanol?
The canonical SMILES for (3-methoxy-4-phenylmethoxyphenyl)-(3-phenylmethoxy-2H-pyran-2-yl)methanol is COc1cc(C(O)C2OC=CC=C2OCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of (3-methoxy-4-phenylmethoxyphenyl)-(3-phenylmethoxy-2H-pyran-2-yl)methanol?
The InChIKey is SDMNQNGUGYVADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O5/c1-29-25-17-22(14-15-23(25)31-18-20-9-4-2-5-10-20)26(28)27-24(13-8-16-30-27)32-19-21-11-6-3-7-12-21/h2-17,26-28H,18-19H2,1H3.
What are the key properties of (3-methoxy-4-phenylmethoxyphenyl)-(3-phenylmethoxy-2H-pyran-2-yl)methanol?
(3-methoxy-4-phenylmethoxyphenyl)-(3-phenylmethoxy-2H-pyran-2-yl)methanol has a molecular weight of 430.50 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-phenylmethoxyphenyl)-(3-phenylmethoxy-2H-pyran-2-yl)methanol is sourced from PubChem (CID 140976761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).