ethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol

C24H30O2 — CID 143505558

IUPACethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol
SMILESCC.COc1ccc(C(C)(C)CO)cc1-c1cc2ccccc2cc1C
InChIInChI=1S/C22H24O2.C2H6/c1-15-11-16-7-5-6-8-17(16)12-19(15)20-13-18(22(2,3)14-23)9-10-21(20)24-4;1-2/h5-13,23H,14H2,1-4H3;1-2H3
InChIKeyFIWUGMUJCWUSJO-UHFFFAOYSA-N
MW350.50 g/mol
LogP6.12
Rot. Bonds4

About ethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol

ethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol (PubChem CID 143505558) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is ethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Nameethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol
PubChem CID143505558
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Nameethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol
SMILESCC.COc1ccc(C(C)(C)CO)cc1-c1cc2ccccc2cc1C
InChIInChI=1S/C22H24O2.C2H6/c1-15-11-16-7-5-6-8-17(16)12-19(15)20-13-18(22(2,3)14-23)9-10-21(20)24-4;1-2/h5-13,23H,14H2,1-4H3;1-2H3
InChIKeyFIWUGMUJCWUSJO-UHFFFAOYSA-N
XLogP6.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of ethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol (CID 143505558) is ethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for ethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for ethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol is CC.COc1ccc(C(C)(C)CO)cc1-c1cc2ccccc2cc1C.
What is the InChIKey of ethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol?
The InChIKey is FIWUGMUJCWUSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2.C2H6/c1-15-11-16-7-5-6-8-17(16)12-19(15)20-13-18(22(2,3)14-23)9-10-21(20)24-4;1-2/h5-13,23H,14H2,1-4H3;1-2H3.
What are the key properties of ethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol?
ethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol has a molecular weight of 350.50 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 143505558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).