2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol

C17H20O2 — CID 174614895

IUPAC2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol
SMILESCOc1cc(Cc2cccc(C(C)C)c2)ccc1O
InChIInChI=1S/C17H20O2/c1-12(2)15-6-4-5-13(10-15)9-14-7-8-16(18)17(11-14)19-3/h4-8,10-12,18H,9H2,1-3H3
InChIKeyYETGYCWLLUAISV-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.11
Rot. Bonds4

About 2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol

2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol (PubChem CID 174614895) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol
PubChem CID174614895
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol
SMILESCOc1cc(Cc2cccc(C(C)C)c2)ccc1O
InChIInChI=1S/C17H20O2/c1-12(2)15-6-4-5-13(10-15)9-14-7-8-16(18)17(11-14)19-3/h4-8,10-12,18H,9H2,1-3H3
InChIKeyYETGYCWLLUAISV-UHFFFAOYSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
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2-methoxy-4-(thiophen-3-ylmethyl)phenol
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol?
The IUPAC name of 2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol (CID 174614895) is 2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol is COc1cc(Cc2cccc(C(C)C)c2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol?
The InChIKey is YETGYCWLLUAISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-12(2)15-6-4-5-13(10-15)9-14-7-8-16(18)17(11-14)19-3/h4-8,10-12,18H,9H2,1-3H3.
What are the key properties of 2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol?
2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol has a molecular weight of 256.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol is sourced from PubChem (CID 174614895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).