2-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)pentan-1-ol

C23H32O4 — CID 22640074

IUPAC2-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)pentan-1-ol
SMILESCOc1cc(CCCC(CO)CCCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H32O4/c1-25-21-15-20(16-22(26-2)23(21)27-3)14-8-13-19(17-24)12-7-11-18-9-5-4-6-10-18/h4-6,9-10,15-16,19,24H,7-8,11-14,17H2,1-3H3
InChIKeyUGHSGMCONRXWQF-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.67
Rot. Bonds12

About 2-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)pentan-1-ol

2-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)pentan-1-ol (PubChem CID 22640074) has the molecular formula C23H32O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name2-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)pentan-1-ol
PubChem CID22640074
Molecular FormulaC23H32O4
Molecular Weight372.51 g/mol
Exact Mass372.23
IUPAC Name2-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)pentan-1-ol
SMILESCOc1cc(CCCC(CO)CCCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H32O4/c1-25-21-15-20(16-22(26-2)23(21)27-3)14-8-13-19(17-24)12-7-11-18-9-5-4-6-10-18/h4-6,9-10,15-16,19,24H,7-8,11-14,17H2,1-3H3
InChIKeyUGHSGMCONRXWQF-UHFFFAOYSA-N
XLogP4.67
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethoxy-5-(5-phenylpentyl)aniline
CID 71371223
1-(3-phenylpropyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217114
(5S,10S)-1-(3,4-dimethoxyphenyl)-5-hydroxy-10-(hydroxymethyl)-12-phenyldodecan-3-one
CID 162896568
N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30803663
1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol
CID 115791096
2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide
CID 23739276
1-(2-phenylethyl)-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine-1,4-diium;dihydrochloride
CID 126958369
[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol
CID 43516716
2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene
CID 44609839
2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide
CID 175712395
5-(3-iodopropyl)-1,2,3-trimethoxybenzene
CID 10640570
2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol
CID 11652150

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)pentan-1-ol?
The IUPAC name of 2-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)pentan-1-ol (CID 22640074) is 2-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)pentan-1-ol.
What is the SMILES notation for 2-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)pentan-1-ol?
The canonical SMILES for 2-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)pentan-1-ol is COc1cc(CCCC(CO)CCCc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 2-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)pentan-1-ol?
The InChIKey is UGHSGMCONRXWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O4/c1-25-21-15-20(16-22(26-2)23(21)27-3)14-8-13-19(17-24)12-7-11-18-9-5-4-6-10-18/h4-6,9-10,15-16,19,24H,7-8,11-14,17H2,1-3H3.
What are the key properties of 2-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)pentan-1-ol?
2-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)pentan-1-ol has a molecular weight of 372.51 g/mol, XLogP of 4.67, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)pentan-1-ol is sourced from PubChem (CID 22640074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).