(1R,2S)-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylpent-4-en-1-ol

C19H30O4 — CID 46197064

IUPAC(1R,2S)-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylpent-4-en-1-ol
SMILESC=CC[C@@H](C(C)C)[C@@H](O)c1ccc(OC)c(OCCCOC)c1
InChIInChI=1S/C19H30O4/c1-6-8-16(14(2)3)19(20)15-9-10-17(22-5)18(13-15)23-12-7-11-21-4/h6,9-10,13-14,16,19-20H,1,7-8,11-12H2,2-5H3/t16-,19-/m0/s1
InChIKeyOXTXSZSBYZBLNM-LPHOPBHVSA-N
MW322.45 g/mol
LogP3.99
Rot. Bonds11

About (1R,2S)-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylpent-4-en-1-ol

(1R,2S)-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylpent-4-en-1-ol (PubChem CID 46197064) has the molecular formula C19H30O4 and a molecular weight of 322.45 g/mol. Its IUPAC name is (1R,2S)-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylpent-4-en-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylpent-4-en-1-ol
PubChem CID46197064
Molecular FormulaC19H30O4
Molecular Weight322.45 g/mol
Exact Mass322.21
IUPAC Name(1R,2S)-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylpent-4-en-1-ol
SMILESC=CC[C@@H](C(C)C)[C@@H](O)c1ccc(OC)c(OCCCOC)c1
InChIInChI=1S/C19H30O4/c1-6-8-16(14(2)3)19(20)15-9-10-17(22-5)18(13-15)23-12-7-11-21-4/h6,9-10,13-14,16,19-20H,1,7-8,11-12H2,2-5H3/t16-,19-/m0/s1
InChIKeyOXTXSZSBYZBLNM-LPHOPBHVSA-N
XLogP3.99
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2S)-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylpent-4-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxy-3-pentoxyphenyl)ethanol
CID 91655145
(1R,2S)-1-(3,4-dimethoxyphenyl)-2-(trityloxymethyl)pent-4-en-1-ol
CID 23657649
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 54935544
4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide
CID 59224071
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
(2R)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-nitropentan-2-ol
CID 130384639
4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene
CID 11325823
(1S)-1-(3,4-dimethoxyphenyl)but-3-en-1-amine
CID 11521312
methyl (E,2S,7R)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnon-4-enoate
CID 53486195
8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-N,N-dimethyl-2,7-di(propan-2-yl)nona-4,8-dienamide
CID 90734071
7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnon-4-enoic acid
CID 67991948
(2S)-6-bromo-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylhex-4-en-1-one
CID 67410609

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylpent-4-en-1-ol?
The IUPAC name of (1R,2S)-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylpent-4-en-1-ol (CID 46197064) is (1R,2S)-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylpent-4-en-1-ol.
What is the SMILES notation for (1R,2S)-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylpent-4-en-1-ol?
The canonical SMILES for (1R,2S)-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylpent-4-en-1-ol is C=CC[C@@H](C(C)C)[C@@H](O)c1ccc(OC)c(OCCCOC)c1.
What is the InChIKey of (1R,2S)-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylpent-4-en-1-ol?
The InChIKey is OXTXSZSBYZBLNM-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H30O4/c1-6-8-16(14(2)3)19(20)15-9-10-17(22-5)18(13-15)23-12-7-11-21-4/h6,9-10,13-14,16,19-20H,1,7-8,11-12H2,2-5H3/t16-,19-/m0/s1.
What are the key properties of (1R,2S)-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylpent-4-en-1-ol?
(1R,2S)-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylpent-4-en-1-ol has a molecular weight of 322.45 g/mol, XLogP of 3.99, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylpent-4-en-1-ol is sourced from PubChem (CID 46197064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).