2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde

C15H16O3 — CID 71726175

IUPAC2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
SMILESCc1cc2c(C(C)C)cc(O)c(C=O)c2cc1O
InChIInChI=1S/C15H16O3/c1-8(2)10-5-15(18)13(7-16)12-6-14(17)9(3)4-11(10)12/h4-8,17-18H,1-3H3
InChIKeyGBYIRCXHWOBGHE-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.50
Rot. Bonds2

About 2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde

2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde (PubChem CID 71726175) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
PubChem CID71726175
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
SMILESCc1cc2c(C(C)C)cc(O)c(C=O)c2cc1O
InChIInChI=1S/C15H16O3/c1-8(2)10-5-15(18)13(7-16)12-6-14(17)9(3)4-11(10)12/h4-8,17-18H,1-3H3
InChIKeyGBYIRCXHWOBGHE-UHFFFAOYSA-N
XLogP3.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde?
The IUPAC name of 2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde (CID 71726175) is 2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde?
The canonical SMILES for 2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde is Cc1cc2c(C(C)C)cc(O)c(C=O)c2cc1O.
What is the InChIKey of 2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde?
The InChIKey is GBYIRCXHWOBGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-8(2)10-5-15(18)13(7-16)12-6-14(17)9(3)4-11(10)12/h4-8,17-18H,1-3H3.
What are the key properties of 2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde?
2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde has a molecular weight of 244.29 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 71726175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).