2-[2,2-bis(4-methoxyphenyl)ethenyl]-1,4-dimethyl-7-propan-2-ylazulene

C31H32O2 — CID 101377849

IUPAC2-[2,2-bis(4-methoxyphenyl)ethenyl]-1,4-dimethyl-7-propan-2-ylazulene
SMILESCOc1ccc(C(=Cc2cc3c(C)ccc(C(C)C)cc-3c2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H32O2/c1-20(2)25-8-7-21(3)29-18-26(22(4)30(29)17-25)19-31(23-9-13-27(32-5)14-10-23)24-11-15-28(33-6)16-12-24/h7-20H,1-6H3
InChIKeyPZNAMAPIINCXPL-UHFFFAOYSA-N
MW436.60 g/mol
LogP8.14
Rot. Bonds6

About 2-[2,2-bis(4-methoxyphenyl)ethenyl]-1,4-dimethyl-7-propan-2-ylazulene

2-[2,2-bis(4-methoxyphenyl)ethenyl]-1,4-dimethyl-7-propan-2-ylazulene (PubChem CID 101377849) has the molecular formula C31H32O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-[2,2-bis(4-methoxyphenyl)ethenyl]-1,4-dimethyl-7-propan-2-ylazulene.

Molecular Properties

Compound Name2-[2,2-bis(4-methoxyphenyl)ethenyl]-1,4-dimethyl-7-propan-2-ylazulene
PubChem CID101377849
Molecular FormulaC31H32O2
Molecular Weight436.60 g/mol
Exact Mass436.24
IUPAC Name2-[2,2-bis(4-methoxyphenyl)ethenyl]-1,4-dimethyl-7-propan-2-ylazulene
SMILESCOc1ccc(C(=Cc2cc3c(C)ccc(C(C)C)cc-3c2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H32O2/c1-20(2)25-8-7-21(3)29-18-26(22(4)30(29)17-25)19-31(23-9-13-27(32-5)14-10-23)24-11-15-28(33-6)16-12-24/h7-20H,1-6H3
InChIKeyPZNAMAPIINCXPL-UHFFFAOYSA-N
XLogP8.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
3-[(4-methoxyphenyl)methyl]-1,4-dimethyl-7-propan-2-ylazulene
CID 102277012
1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene
CID 162409717
9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene
CID 157180740
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317
4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline
CID 122467021
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
(3-methyl-4-propan-2-ylphenyl) 4-methoxybenzoate
CID 23240007
1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene
CID 66556000
[4-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 101076252
4-[(Z)-1-(4-methoxy-2-methylphenyl)but-1-enyl]phenol
CID 164922919
2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 55351010

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(4-methoxyphenyl)ethenyl]-1,4-dimethyl-7-propan-2-ylazulene?
The IUPAC name of 2-[2,2-bis(4-methoxyphenyl)ethenyl]-1,4-dimethyl-7-propan-2-ylazulene (CID 101377849) is 2-[2,2-bis(4-methoxyphenyl)ethenyl]-1,4-dimethyl-7-propan-2-ylazulene.
What is the SMILES notation for 2-[2,2-bis(4-methoxyphenyl)ethenyl]-1,4-dimethyl-7-propan-2-ylazulene?
The canonical SMILES for 2-[2,2-bis(4-methoxyphenyl)ethenyl]-1,4-dimethyl-7-propan-2-ylazulene is COc1ccc(C(=Cc2cc3c(C)ccc(C(C)C)cc-3c2C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[2,2-bis(4-methoxyphenyl)ethenyl]-1,4-dimethyl-7-propan-2-ylazulene?
The InChIKey is PZNAMAPIINCXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O2/c1-20(2)25-8-7-21(3)29-18-26(22(4)30(29)17-25)19-31(23-9-13-27(32-5)14-10-23)24-11-15-28(33-6)16-12-24/h7-20H,1-6H3.
What are the key properties of 2-[2,2-bis(4-methoxyphenyl)ethenyl]-1,4-dimethyl-7-propan-2-ylazulene?
2-[2,2-bis(4-methoxyphenyl)ethenyl]-1,4-dimethyl-7-propan-2-ylazulene has a molecular weight of 436.60 g/mol, XLogP of 8.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(4-methoxyphenyl)ethenyl]-1,4-dimethyl-7-propan-2-ylazulene is sourced from PubChem (CID 101377849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).