[3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol

C27H27NO3 — CID 142136286

IUPAC[3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol
SMILESCOc1cccc(Cn2c(CO)c(-c3ccc(OCC4CC4)cc3)c3ccccc32)c1
InChIInChI=1S/C27H27NO3/c1-30-23-6-4-5-20(15-23)16-28-25-8-3-2-7-24(25)27(26(28)17-29)21-11-13-22(14-12-21)31-18-19-9-10-19/h2-8,11-15,19,29H,9-10,16-18H2,1H3
InChIKeyABXSNTVMFOFGOF-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.65
Rot. Bonds8

About [3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol

[3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol (PubChem CID 142136286) has the molecular formula C27H27NO3 and a molecular weight of 413.52 g/mol. Its IUPAC name is [3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol.

Molecular Properties

Compound Name[3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol
PubChem CID142136286
Molecular FormulaC27H27NO3
Molecular Weight413.52 g/mol
Exact Mass413.20
IUPAC Name[3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol
SMILESCOc1cccc(Cn2c(CO)c(-c3ccc(OCC4CC4)cc3)c3ccccc32)c1
InChIInChI=1S/C27H27NO3/c1-30-23-6-4-5-20(15-23)16-28-25-8-3-2-7-24(25)27(26(28)17-29)21-11-13-22(14-12-21)31-18-19-9-10-19/h2-8,11-15,19,29H,9-10,16-18H2,1H3
InChIKeyABXSNTVMFOFGOF-UHFFFAOYSA-N
XLogP5.65
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indol-2-yl]ethanone
CID 59066246
1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid
CID 10274111
3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-phenylmethoxyindole-2-carboxylic acid
CID 22676794
5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 10278700
2-[3-[4-(cyclopropylmethoxy)phenyl]-2-ethoxycarbonyl-1-[(3-methoxyphenyl)methyl]indol-5-yl]oxyacetic acid
CID 10119223
3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-4-methylpyrrole-2-carboxylic acid
CID 142136243
[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol
CID 118967126
N-[3-[1-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-(dihydroxymethyl)indol-3-yl]phenyl]acetamide
CID 142136250
3-[4-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 10297013
ethyl 3-bromo-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylate
CID 22676836
1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one
CID 176909533
3-bromo-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 22310832

Frequently Asked Questions

What is the IUPAC name of [3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol?
The IUPAC name of [3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol (CID 142136286) is [3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol.
What is the SMILES notation for [3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol?
The canonical SMILES for [3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol is COc1cccc(Cn2c(CO)c(-c3ccc(OCC4CC4)cc3)c3ccccc32)c1.
What is the InChIKey of [3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol?
The InChIKey is ABXSNTVMFOFGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO3/c1-30-23-6-4-5-20(15-23)16-28-25-8-3-2-7-24(25)27(26(28)17-29)21-11-13-22(14-12-21)31-18-19-9-10-19/h2-8,11-15,19,29H,9-10,16-18H2,1H3.
What are the key properties of [3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol?
[3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol has a molecular weight of 413.52 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol is sourced from PubChem (CID 142136286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).