4-(4-hydroxy-3-methyl-6,7-dihydro-5H-naphthalen-1-ylidene)-2,3-dimethyl-7,8-dihydro-6H-naphthalen-1-ol

C23H26O2 — CID 91489497

IUPAC4-(4-hydroxy-3-methyl-6,7-dihydro-5H-naphthalen-1-ylidene)-2,3-dimethyl-7,8-dihydro-6H-naphthalen-1-ol
SMILESCc1cc(=c2c(C)c(C)c(O)c3c2=CCCC3)c2c(c1O)CCCC=2
InChIInChI=1S/C23H26O2/c1-13-12-20(16-8-4-6-10-18(16)22(13)24)21-14(2)15(3)23(25)19-11-7-5-9-17(19)21/h8-9,12,24-25H,4-7,10-11H2,1-3H3
InChIKeyZUXQGAQQQQMAHM-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.54
Rot. Bonds

About 4-(4-hydroxy-3-methyl-6,7-dihydro-5H-naphthalen-1-ylidene)-2,3-dimethyl-7,8-dihydro-6H-naphthalen-1-ol

4-(4-hydroxy-3-methyl-6,7-dihydro-5H-naphthalen-1-ylidene)-2,3-dimethyl-7,8-dihydro-6H-naphthalen-1-ol (PubChem CID 91489497) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methyl-6,7-dihydro-5H-naphthalen-1-ylidene)-2,3-dimethyl-7,8-dihydro-6H-naphthalen-1-ol.

Molecular Properties

Compound Name4-(4-hydroxy-3-methyl-6,7-dihydro-5H-naphthalen-1-ylidene)-2,3-dimethyl-7,8-dihydro-6H-naphthalen-1-ol
PubChem CID91489497
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name4-(4-hydroxy-3-methyl-6,7-dihydro-5H-naphthalen-1-ylidene)-2,3-dimethyl-7,8-dihydro-6H-naphthalen-1-ol
SMILESCc1cc(=c2c(C)c(C)c(O)c3c2=CCCC3)c2c(c1O)CCCC=2
InChIInChI=1S/C23H26O2/c1-13-12-20(16-8-4-6-10-18(16)22(13)24)21-14(2)15(3)23(25)19-11-7-5-9-17(19)21/h8-9,12,24-25H,4-7,10-11H2,1-3H3
InChIKeyZUXQGAQQQQMAHM-UHFFFAOYSA-N
XLogP3.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methyl-6,7-dihydro-5H-naphthalen-1-ylidene)-2,3-dimethyl-7,8-dihydro-6H-naphthalen-1-ol?
The IUPAC name of 4-(4-hydroxy-3-methyl-6,7-dihydro-5H-naphthalen-1-ylidene)-2,3-dimethyl-7,8-dihydro-6H-naphthalen-1-ol (CID 91489497) is 4-(4-hydroxy-3-methyl-6,7-dihydro-5H-naphthalen-1-ylidene)-2,3-dimethyl-7,8-dihydro-6H-naphthalen-1-ol.
What is the SMILES notation for 4-(4-hydroxy-3-methyl-6,7-dihydro-5H-naphthalen-1-ylidene)-2,3-dimethyl-7,8-dihydro-6H-naphthalen-1-ol?
The canonical SMILES for 4-(4-hydroxy-3-methyl-6,7-dihydro-5H-naphthalen-1-ylidene)-2,3-dimethyl-7,8-dihydro-6H-naphthalen-1-ol is Cc1cc(=c2c(C)c(C)c(O)c3c2=CCCC3)c2c(c1O)CCCC=2.
What is the InChIKey of 4-(4-hydroxy-3-methyl-6,7-dihydro-5H-naphthalen-1-ylidene)-2,3-dimethyl-7,8-dihydro-6H-naphthalen-1-ol?
The InChIKey is ZUXQGAQQQQMAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O2/c1-13-12-20(16-8-4-6-10-18(16)22(13)24)21-14(2)15(3)23(25)19-11-7-5-9-17(19)21/h8-9,12,24-25H,4-7,10-11H2,1-3H3.
What are the key properties of 4-(4-hydroxy-3-methyl-6,7-dihydro-5H-naphthalen-1-ylidene)-2,3-dimethyl-7,8-dihydro-6H-naphthalen-1-ol?
4-(4-hydroxy-3-methyl-6,7-dihydro-5H-naphthalen-1-ylidene)-2,3-dimethyl-7,8-dihydro-6H-naphthalen-1-ol has a molecular weight of 334.46 g/mol, XLogP of 3.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methyl-6,7-dihydro-5H-naphthalen-1-ylidene)-2,3-dimethyl-7,8-dihydro-6H-naphthalen-1-ol is sourced from PubChem (CID 91489497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).