4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)propyl]phenol

C22H28O — CID 57138271

IUPAC4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)propyl]phenol
SMILESCc1cc2c(cc1C(C)Cc1ccc(O)cc1)C(C)(C)CCC2
InChIInChI=1S/C22H28O/c1-15(12-17-7-9-19(23)10-8-17)20-14-21-18(13-16(20)2)6-5-11-22(21,3)4/h7-10,13-15,23H,5-6,11-12H2,1-4H3
InChIKeyVCYHNDFMOJLVDC-UHFFFAOYSA-N
MW308.47 g/mol
LogP5.66
Rot. Bonds3

About 4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)propyl]phenol

4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)propyl]phenol (PubChem CID 57138271) has the molecular formula C22H28O and a molecular weight of 308.47 g/mol. Its IUPAC name is 4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)propyl]phenol.

Molecular Properties

Compound Name4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)propyl]phenol
PubChem CID57138271
Molecular FormulaC22H28O
Molecular Weight308.47 g/mol
Exact Mass308.21
IUPAC Name4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)propyl]phenol
SMILESCc1cc2c(cc1C(C)Cc1ccc(O)cc1)C(C)(C)CCC2
InChIInChI=1S/C22H28O/c1-15(12-17-7-9-19(23)10-8-17)20-14-21-18(13-16(20)2)6-5-11-22(21,3)4/h7-10,13-15,23H,5-6,11-12H2,1-4H3
InChIKeyVCYHNDFMOJLVDC-UHFFFAOYSA-N
XLogP5.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)propyl]phenol?
The IUPAC name of 4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)propyl]phenol (CID 57138271) is 4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)propyl]phenol.
What is the SMILES notation for 4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)propyl]phenol?
The canonical SMILES for 4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)propyl]phenol is Cc1cc2c(cc1C(C)Cc1ccc(O)cc1)C(C)(C)CCC2.
What is the InChIKey of 4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)propyl]phenol?
The InChIKey is VCYHNDFMOJLVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O/c1-15(12-17-7-9-19(23)10-8-17)20-14-21-18(13-16(20)2)6-5-11-22(21,3)4/h7-10,13-15,23H,5-6,11-12H2,1-4H3.
What are the key properties of 4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)propyl]phenol?
4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)propyl]phenol has a molecular weight of 308.47 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)propyl]phenol is sourced from PubChem (CID 57138271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).