2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde

C17H18O3 — CID 59599776

IUPAC2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde
SMILESCOc1ccc(-c2ccc(C(C)C)cc2)c(C=O)c1O
InChIInChI=1S/C17H18O3/c1-11(2)12-4-6-13(7-5-12)14-8-9-16(20-3)17(19)15(14)10-18/h4-11,19H,1-3H3
InChIKeyYEDVCHKANJNDGC-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.00
Rot. Bonds4

About 2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde

2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde (PubChem CID 59599776) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde
PubChem CID59599776
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde
SMILESCOc1ccc(-c2ccc(C(C)C)cc2)c(C=O)c1O
InChIInChI=1S/C17H18O3/c1-11(2)12-4-6-13(7-5-12)14-8-9-16(20-3)17(19)15(14)10-18/h4-11,19H,1-3H3
InChIKeyYEDVCHKANJNDGC-UHFFFAOYSA-N
XLogP4.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde
CID 59599735
6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 91468164
2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde
CID 172993957
2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde
CID 169453822
2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170818456
methyl 4-(2-formyl-3,4-dihydroxy-5-methoxyphenyl)benzoate
CID 172796965
2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
CID 121300355
4-(2-ethenyl-3-formyl-4-methoxyphenyl)benzonitrile
CID 143402163
4-methoxy-6-propan-2-ylazulene
CID 56627743
6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde
CID 160668969
4-(3-formyl-4-methoxy-2-methylphenyl)benzonitrile
CID 58902887
2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde
CID 11550926

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde?
The IUPAC name of 2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde (CID 59599776) is 2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde is COc1ccc(-c2ccc(C(C)C)cc2)c(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde?
The InChIKey is YEDVCHKANJNDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11(2)12-4-6-13(7-5-12)14-8-9-16(20-3)17(19)15(14)10-18/h4-11,19H,1-3H3.
What are the key properties of 2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde?
2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde has a molecular weight of 270.33 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde is sourced from PubChem (CID 59599776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).