[3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol

C24H25ClO5 — CID 5245459

IUPAC[3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol
SMILESCCOc1cc(COc2c(Cl)cc(CO)cc2OC)ccc1OCc1ccccc1
InChIInChI=1S/C24H25ClO5/c1-3-28-22-12-18(9-10-21(22)29-15-17-7-5-4-6-8-17)16-30-24-20(25)11-19(14-26)13-23(24)27-2/h4-13,26H,3,14-16H2,1-2H3
InChIKeyIUKKBHFJGFPLRO-UHFFFAOYSA-N
MW428.91 g/mol
LogP5.40
Rot. Bonds10

About [3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol

[3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol (PubChem CID 5245459) has the molecular formula C24H25ClO5 and a molecular weight of 428.91 g/mol. Its IUPAC name is [3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol
PubChem CID5245459
Molecular FormulaC24H25ClO5
Molecular Weight428.91 g/mol
Exact Mass428.14
IUPAC Name[3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol
SMILESCCOc1cc(COc2c(Cl)cc(CO)cc2OC)ccc1OCc1ccccc1
InChIInChI=1S/C24H25ClO5/c1-3-28-22-12-18(9-10-21(22)29-15-17-7-5-4-6-8-17)16-30-24-20(25)11-19(14-26)13-23(24)27-2/h4-13,26H,3,14-16H2,1-2H3
InChIKeyIUKKBHFJGFPLRO-UHFFFAOYSA-N
XLogP5.40
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.91
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
CID 28898339
4-[[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzoic acid
CID 894276
[3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol
CID 45371652
2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2958913
3-chloro-5-ethoxy-4-phenylmethoxybenzenecarbothioamide
CID 22685956
N-[(E)-[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126318501
3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
CID 170887590
N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126337761
[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol
CID 1319055
(4-chloro-3-phenylmethoxyphenyl)methanol
CID 66724752
5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 166666310
1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 28898530

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol?
The IUPAC name of [3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol (CID 5245459) is [3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol.
What is the SMILES notation for [3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol?
The canonical SMILES for [3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol is CCOc1cc(COc2c(Cl)cc(CO)cc2OC)ccc1OCc1ccccc1.
What is the InChIKey of [3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol?
The InChIKey is IUKKBHFJGFPLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClO5/c1-3-28-22-12-18(9-10-21(22)29-15-17-7-5-4-6-8-17)16-30-24-20(25)11-19(14-26)13-23(24)27-2/h4-13,26H,3,14-16H2,1-2H3.
What are the key properties of [3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol?
[3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol has a molecular weight of 428.91 g/mol, XLogP of 5.40, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol is sourced from PubChem (CID 5245459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).