4-methyl-7-prop-1-en-2-yl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenanthren-2-ol

C30H31NO2 — CID 18182754

IUPAC4-methyl-7-prop-1-en-2-yl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenanthren-2-ol
SMILESC=C(C)c1ccc2c(c1)c(-c1ccc(OCCN3CCCC3)cc1)cc1cc(O)cc(C)c12
InChIInChI=1S/C30H31NO2/c1-20(2)23-8-11-27-29(18-23)28(19-24-17-25(32)16-21(3)30(24)27)22-6-9-26(10-7-22)33-15-14-31-12-4-5-13-31/h6-11,16-19,32H,1,4-5,12-15H2,2-3H3
InChIKeyUGXHPACAEZIYIO-UHFFFAOYSA-N
MW437.58 g/mol
LogP7.18
Rot. Bonds6

About 4-methyl-7-prop-1-en-2-yl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenanthren-2-ol

4-methyl-7-prop-1-en-2-yl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenanthren-2-ol (PubChem CID 18182754) has the molecular formula C30H31NO2 and a molecular weight of 437.58 g/mol. Its IUPAC name is 4-methyl-7-prop-1-en-2-yl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenanthren-2-ol.

Molecular Properties

Compound Name4-methyl-7-prop-1-en-2-yl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenanthren-2-ol
PubChem CID18182754
Molecular FormulaC30H31NO2
Molecular Weight437.58 g/mol
Exact Mass437.24
IUPAC Name4-methyl-7-prop-1-en-2-yl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenanthren-2-ol
SMILESC=C(C)c1ccc2c(c1)c(-c1ccc(OCCN3CCCC3)cc1)cc1cc(O)cc(C)c12
InChIInChI=1S/C30H31NO2/c1-20(2)23-8-11-27-29(18-23)28(19-24-17-25(32)16-21(3)30(24)27)22-6-9-26(10-7-22)33-15-14-31-12-4-5-13-31/h6-11,16-19,32H,1,4-5,12-15H2,2-3H3
InChIKeyUGXHPACAEZIYIO-UHFFFAOYSA-N
XLogP7.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-methyl-7-prop-1-en-2-yl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenanthren-2-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-[7-hydroxy-5-methyl-10-[4-(3-piperidin-1-ylpropoxy)phenyl]phenanthren-2-yl]-2-methylpropan-1-one
CID 142162971
[2-(3,4-dihydroxyphenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362234
[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone
CID 10840369
5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol
CID 11784901
4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol
CID 171935752
6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol
CID 18182697
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-(4-sulfanylphenyl)naphthalen-2-ol
CID 70896739
6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 10296965
1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine
CID 71038694
2-(4-hydroxyphenyl)-3-[1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1-benzofuran-6-ol
CID 15337706
6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol
CID 12051557
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-prop-1-en-2-yl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenanthren-2-ol?
The IUPAC name of 4-methyl-7-prop-1-en-2-yl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenanthren-2-ol (CID 18182754) is 4-methyl-7-prop-1-en-2-yl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenanthren-2-ol.
What is the SMILES notation for 4-methyl-7-prop-1-en-2-yl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenanthren-2-ol?
The canonical SMILES for 4-methyl-7-prop-1-en-2-yl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenanthren-2-ol is C=C(C)c1ccc2c(c1)c(-c1ccc(OCCN3CCCC3)cc1)cc1cc(O)cc(C)c12.
What is the InChIKey of 4-methyl-7-prop-1-en-2-yl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenanthren-2-ol?
The InChIKey is UGXHPACAEZIYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO2/c1-20(2)23-8-11-27-29(18-23)28(19-24-17-25(32)16-21(3)30(24)27)22-6-9-26(10-7-22)33-15-14-31-12-4-5-13-31/h6-11,16-19,32H,1,4-5,12-15H2,2-3H3.
What are the key properties of 4-methyl-7-prop-1-en-2-yl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenanthren-2-ol?
4-methyl-7-prop-1-en-2-yl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenanthren-2-ol has a molecular weight of 437.58 g/mol, XLogP of 7.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-prop-1-en-2-yl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenanthren-2-ol is sourced from PubChem (CID 18182754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).