4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]-3-methylphenol

C19H18O2 — CID 68960905

IUPAC4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]-3-methylphenol
SMILESCc1cc(O)ccc1C1=CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H18O2/c1-13-12-18(21)10-11-19(13)16-4-2-14(3-5-16)15-6-8-17(20)9-7-15/h2,4,6-12,20-21H,3,5H2,1H3
InChIKeyUQRMFKVVBVANQU-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.67
Rot. Bonds2

About 4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]-3-methylphenol

4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]-3-methylphenol (PubChem CID 68960905) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]-3-methylphenol.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]-3-methylphenol
PubChem CID68960905
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]-3-methylphenol
SMILESCc1cc(O)ccc1C1=CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H18O2/c1-13-12-18(21)10-11-19(13)16-4-2-14(3-5-16)15-6-8-17(20)9-7-15/h2,4,6-12,20-21H,3,5H2,1H3
InChIKeyUQRMFKVVBVANQU-UHFFFAOYSA-N
XLogP4.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]-3-methylphenol?
The IUPAC name of 4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]-3-methylphenol (CID 68960905) is 4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]-3-methylphenol.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]-3-methylphenol?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]-3-methylphenol is Cc1cc(O)ccc1C1=CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]-3-methylphenol?
The InChIKey is UQRMFKVVBVANQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-13-12-18(21)10-11-19(13)16-4-2-14(3-5-16)15-6-8-17(20)9-7-15/h2,4,6-12,20-21H,3,5H2,1H3.
What are the key properties of 4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]-3-methylphenol?
4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]-3-methylphenol has a molecular weight of 278.35 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]-3-methylphenol is sourced from PubChem (CID 68960905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).