2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol

C15H22O3 — CID 79335808

IUPAC2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol
SMILESCCOc1ccc(C=C(CO)C(C)C)cc1OC
InChIInChI=1S/C15H22O3/c1-5-18-14-7-6-12(9-15(14)17-4)8-13(10-16)11(2)3/h6-9,11,16H,5,10H2,1-4H3
InChIKeyFFDSTBBPMKPORR-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.13
Rot. Bonds6

About 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol

2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol (PubChem CID 79335808) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol
PubChem CID79335808
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol
SMILESCCOc1ccc(C=C(CO)C(C)C)cc1OC
InChIInChI=1S/C15H22O3/c1-5-18-14-7-6-12(9-15(14)17-4)8-13(10-16)11(2)3/h6-9,11,16H,5,10H2,1-4H3
InChIKeyFFDSTBBPMKPORR-UHFFFAOYSA-N
XLogP3.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
CID 79339699
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79342187
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutanal
CID 79335307
2-[[4-methoxy-3-(1-methoxypropoxy)phenyl]methylidene]-3-methylbutan-1-ol
CID 66624794
3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335593
2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339418
3-(4-ethoxy-3-methoxyphenyl)-2-fluoroprop-2-enoic acid
CID 79726801
2-cyano-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 4533671
2-[4-[2-(chloromethyl)-3-methylbut-1-enyl]-2-methoxyphenoxy]acetonitrile
CID 79335273
4-[2-(chloromethyl)-3-methylbut-1-enyl]-1-methoxy-2-propoxybenzene
CID 79334021
(Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092940
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341727

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol?
The IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol (CID 79335808) is 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol is CCOc1ccc(C=C(CO)C(C)C)cc1OC.
What is the InChIKey of 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol?
The InChIKey is FFDSTBBPMKPORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-18-14-7-6-12(9-15(14)17-4)8-13(10-16)11(2)3/h6-9,11,16H,5,10H2,1-4H3.
What are the key properties of 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol?
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol is sourced from PubChem (CID 79335808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).