[3,5-bis(phenylmethoxy)phenyl]-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]methanol

C44H42O5 — CID 142635460

IUPAC[3,5-bis(phenylmethoxy)phenyl]-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]methanol
SMILESCc1c(C)c(OCc2ccccc2)c(C(O)c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c(C)c1OCc1ccccc1
InChIInChI=1S/C44H42O5/c1-31-32(2)44(49-30-37-22-14-7-15-23-37)41(33(3)43(31)48-29-36-20-12-6-13-21-36)42(45)38-24-39(46-27-34-16-8-4-9-17-34)26-40(25-38)47-28-35-18-10-5-11-19-35/h4-26,42,45H,27-30H2,1-3H3
InChIKeyZWVQPJIBIBENKZ-UHFFFAOYSA-N
MW650.82 g/mol
LogP10.01
Rot. Bonds14

About [3,5-bis(phenylmethoxy)phenyl]-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]methanol

[3,5-bis(phenylmethoxy)phenyl]-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]methanol (PubChem CID 142635460) has the molecular formula C44H42O5 and a molecular weight of 650.82 g/mol. Its IUPAC name is [3,5-bis(phenylmethoxy)phenyl]-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,5-bis(phenylmethoxy)phenyl]-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]methanol
PubChem CID142635460
Molecular FormulaC44H42O5
Molecular Weight650.82 g/mol
Exact Mass650.30
IUPAC Name[3,5-bis(phenylmethoxy)phenyl]-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]methanol
SMILESCc1c(C)c(OCc2ccccc2)c(C(O)c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c(C)c1OCc1ccccc1
InChIInChI=1S/C44H42O5/c1-31-32(2)44(49-30-37-22-14-7-15-23-37)41(33(3)43(31)48-29-36-20-12-6-13-21-36)42(45)38-24-39(46-27-34-16-8-4-9-17-34)26-40(25-38)47-28-35-18-10-5-11-19-35/h4-26,42,45H,27-30H2,1-3H3
InChIKeyZWVQPJIBIBENKZ-UHFFFAOYSA-N
XLogP10.01
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.82
LogP ≤ 510.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methanol
CID 69204493
1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethanol
CID 11640220
2,2-dichloro-1-(3-methyl-5-phenylmethoxyphenyl)ethanol
CID 164893153
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
CID 142106571
(2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol
CID 10982342
methyl 3-[3,5-bis(phenylmethoxy)phenyl]butanoate
CID 171372762
(3-methyl-2-phenylmethoxyphenyl)-phenylmethanol
CID 171366218
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate
CID 90477082

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(phenylmethoxy)phenyl]-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]methanol?
The IUPAC name of [3,5-bis(phenylmethoxy)phenyl]-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]methanol (CID 142635460) is [3,5-bis(phenylmethoxy)phenyl]-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]methanol.
What is the SMILES notation for [3,5-bis(phenylmethoxy)phenyl]-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]methanol?
The canonical SMILES for [3,5-bis(phenylmethoxy)phenyl]-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]methanol is Cc1c(C)c(OCc2ccccc2)c(C(O)c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c(C)c1OCc1ccccc1.
What is the InChIKey of [3,5-bis(phenylmethoxy)phenyl]-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]methanol?
The InChIKey is ZWVQPJIBIBENKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42O5/c1-31-32(2)44(49-30-37-22-14-7-15-23-37)41(33(3)43(31)48-29-36-20-12-6-13-21-36)42(45)38-24-39(46-27-34-16-8-4-9-17-34)26-40(25-38)47-28-35-18-10-5-11-19-35/h4-26,42,45H,27-30H2,1-3H3.
What are the key properties of [3,5-bis(phenylmethoxy)phenyl]-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]methanol?
[3,5-bis(phenylmethoxy)phenyl]-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]methanol has a molecular weight of 650.82 g/mol, XLogP of 10.01, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(phenylmethoxy)phenyl]-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]methanol is sourced from PubChem (CID 142635460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).