3-methoxy-4-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]phenol

C15H18O3 — CID 143713173

IUPAC3-methoxy-4-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]phenol
SMILESCOc1cc(O)ccc1OCC1=CCC(C)C=C1
InChIInChI=1S/C15H18O3/c1-11-3-5-12(6-4-11)10-18-14-8-7-13(16)9-15(14)17-2/h3,5-9,11,16H,4,10H2,1-2H3
InChIKeyBRMDSDSRUFFALQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.30
Rot. Bonds4

About 3-methoxy-4-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]phenol

3-methoxy-4-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]phenol (PubChem CID 143713173) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-methoxy-4-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]phenol.

Molecular Properties

Compound Name3-methoxy-4-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]phenol
PubChem CID143713173
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name3-methoxy-4-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]phenol
SMILESCOc1cc(O)ccc1OCC1=CCC(C)C=C1
InChIInChI=1S/C15H18O3/c1-11-3-5-12(6-4-11)10-18-14-8-7-13(16)9-15(14)17-2/h3,5-9,11,16H,4,10H2,1-2H3
InChIKeyBRMDSDSRUFFALQ-UHFFFAOYSA-N
XLogP3.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]phenol?
The IUPAC name of 3-methoxy-4-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]phenol (CID 143713173) is 3-methoxy-4-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]phenol.
What is the SMILES notation for 3-methoxy-4-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]phenol?
The canonical SMILES for 3-methoxy-4-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]phenol is COc1cc(O)ccc1OCC1=CCC(C)C=C1.
What is the InChIKey of 3-methoxy-4-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]phenol?
The InChIKey is BRMDSDSRUFFALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-11-3-5-12(6-4-11)10-18-14-8-7-13(16)9-15(14)17-2/h3,5-9,11,16H,4,10H2,1-2H3.
What are the key properties of 3-methoxy-4-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]phenol?
3-methoxy-4-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]phenol has a molecular weight of 246.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]phenol is sourced from PubChem (CID 143713173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).